SCHEMBL9004443

SCHEMBL9004443

CC(C)(C)C(=O)C1=CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.52
HDAC4 P56524 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
CTSK P43235 1/20 0.46
HDAC1 Q13547 4/20 0.44
HDAC3 O15379 3/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ALDH1A1 P00352 2/20 0.37
CCR2 P41597 1/20 0.36
RAB9A P51151 1/20 0.33
GSTP1 P09211 1/20 0.32
KDM1A O60341 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9004436 0.94 HDAC2 (0.50) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL14606179 0.83 HDAC2 (0.55) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL9004448 0.82 CES2 (0.33) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL4104945 0.80
SCHEMBL28593099 0.80 HDAC2 (0.44) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL29035906 0.78 HDAC2 (0.59) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL28986665 0.78 HDAC2 (0.59) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL19115944 0.78 HDAC2 (0.47) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL20262297 0.77 HDAC2 (0.46) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL28422617 0.76 HDAC2 (0.49) HDAC2HDAC4HDAC8HDAC6CTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 205 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-11673898-B2 Substituted inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2023-06-13 US disclosed
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2023-05-11 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-11542248-B2 Methods and compositions for inhibiting the interaction of menin with MLL proteins KURA ONCOLOGY, INC. (US) 2023-01-03 US disclosed
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2022-10-20 US disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-11279689-B2 1-(3-(6-(3-hydroxynaphthalen-1-yl)benzofuran-2-yl)azetidin-1 yl)prop-2-en-1-one derivatives and similar compounds as KRAS G12C modulators for treating cancer ARAXES PHARMA LLC (US) 2022-03-22 US disclosed
US-11274093-B2 Fused bicyclic benzoheteroaromatic compounds and methods of use thereof ARAXES PHARMA LLC (US) 2022-03-15 US disclosed
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2021-10-14 US disclosed
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 US disclosed
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 US disclosed
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 US disclosed
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-12-10 US disclosed
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-09 US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
US-4028279-A Novel fragrance compositions containing 2,6,6 trimethyl-1-cyclohexen-1-yl acetaldehyde and phenyl C6 ketone INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-06-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 HDAC2 1013/4885HDAC4 2320/4885HDAC8 1316/4885
US-11542248-B2 Methods and compositions for inhibiting the interaction of menin with MLL proteins MLLT1, MEN1, BMI1 HDAC2 593/4885HDAC4 1094/4885HDAC8 510/4885
US-11274093-B2 Fused bicyclic benzoheteroaromatic compounds and methods of use thereof KRAS, NRAS, HRAS HDAC2 1644/4885HDAC4 3083/4885HDAC8 1567/4885
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 HDAC2 1120/4885HDAC4 652/4885HDAC8 250/4885
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 HDAC2 1013/4885HDAC4 2320/4885HDAC8 1316/4885
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC2 2129/4885HDAC4 1741/4885HDAC8 1458/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK HDAC2 1206/4885HDAC4 1664/4885HDAC8 1603/4885
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS HDAC2 2773/4885HDAC4 2091/4885HDAC8 947/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 HDAC2 1013/4885HDAC4 2320/4885HDAC8 1316/4885
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 HDAC2 1013/4885HDAC4 2320/4885HDAC8 1316/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HDAC2 3134/4885HDAC4 3919/4885HDAC8 3107/4885
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC2 2129/4885HDAC4 1741/4885HDAC8 1458/4885
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS HDAC2 2459/4885HDAC4 2006/4885HDAC8 1689/4885
US-11673898-B2 Substituted inhibitors of menin-MLL and methods of use MLLT1, MEN1, MLLT3 HDAC2 264/4885HDAC4 946/4885HDAC8 566/4885
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC2 2129/4885HDAC4 1741/4885HDAC8 1458/4885
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC2 2129/4885HDAC4 1741/4885HDAC8 1458/4885
US-11279689-B2 1-(3-(6-(3-hydroxynaphthalen-1-yl)benzofuran-2-yl)azetidin-1 yl)prop-2-en-1-one derivatives and similar compounds as KRAS G12C modulators for treating cancer KRAS, NRAS, HRAS HDAC2 2742/4885HDAC4 3643/4885HDAC8 3274/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.