SCHEMBL4730758

SCHEMBL4730758

CCOC(=O)c1cc(C(C)=O)ccc1OCC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 7/20 0.60
HDAC8 Q9BY41 2/20 0.52
ALDH1A1 P00352 4/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL13528430 0.90 CREBBP (0.56) CREBBPHDAC8ALDH1A1LMNAMAPK1
SCHEMBL7160525 0.88 CREBBP (0.61) CREBBPHDAC8ALDH1A1MAPK1HDAC1
SCHEMBL4734254 0.87 ALDH1A1 (0.57) CREBBPHDAC8ALDH1A1LMNAMAPK1
SCHEMBL966146 0.85 MAOB (0.52) CREBBPLMNAL3MBTL1MEN1KMT2A
SCHEMBL641868 0.84 CREBBP (0.64) CREBBPHDAC8LMNAHDAC1HDAC6
SCHEMBL4001489 0.84 LMNA (0.44) CREBBPALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL7962680 0.83 CREBBP (0.62) CREBBPHDAC8ALDH1A1MAPK1L3MBTL1
SCHEMBL14279020 0.82 TSHR (0.52) ALDH1A1LMNAMAPK1L3MBTL1SMN1; SMN2
SCHEMBL5334076 0.81 LMNA (0.54) CREBBPLMNAKMT2ASMN1; SMN2HTT
SCHEMBL5312956 0.81 CA12 (0.68) LMNAMEN1KMT2ASMN1; SMN2TSHR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778442-A Olefin polymerization catalyst solid component, preparation method thereof, olefin polymerization catalyst and application 中国石油化工股份有限公司 2021-05-11 CN claimed
CN-112759683-A Olefin polymerization catalyst and application 中国石油化工股份有限公司 2021-05-07 CN claimed
CN-111057169-B Catalyst for olefin polymerization and preparation method and application thereof 中国石油化工股份有限公司 2023-02-28 CN disclosed
CN-111057168-B Catalyst for olefin polymerization and preparation method and application thereof 中国石油化工股份有限公司 2022-07-12 CN disclosed
CN-112778442-A Olefin polymerization catalyst solid component, preparation method thereof, olefin polymerization catalyst and application 中国石油化工股份有限公司 2021-05-11 CN disclosed
CN-112759683-A Olefin polymerization catalyst and application 中国石油化工股份有限公司 2021-05-07 CN disclosed
CN-111057169-A Catalyst for olefin polymerization and preparation method and application thereof 中国石油化工股份有限公司 2020-04-24 CN disclosed
WO-2008054454-A2 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF AS ANTIVIRAL AGENTS TRANSTECH PHARMA, INC. (US) 2008-05-08 WO disclosed
US-20070219239-A1 Nitrogen-containing heterocycle derivatives, pharmaceutical compositions, and methods of use thereof as antiviral agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-20 US disclosed
WO-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO 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 (1 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-20070219239-A1 Nitrogen-containing heterocycle derivatives, pharmaceutical compositions, and methods of use thereof as antiviral agents NUDT1, PNP, NME2 CREBBP 2496/4885HDAC8 1609/4885ALDH1A1 2447/4885

“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.