SCHEMBL7218374

SCHEMBL7218374

CCC(=O)c1cccc(C(C)(C)C)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.72
CYP26A1 O43174 1/20 0.52
CYP26B1 Q9NR63 1/20 0.52
HDAC8 Q9BY41 5/20 0.48
NR1H4 Q96RI1 1/20 0.48
HDAC6 Q9UBN7 2/20 0.48
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC3 O15379 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
CES2 O00748 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42

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
Methane SCHEMBL377242 0.98 ACHE (0.70) ACHECYP26A1CYP26B1HDAC8NR1H4
SCHEMBL16775747 0.86 ACHE (0.68) ACHECYP26A1CYP26B1HDAC8NR1H4
SCHEMBL6581884 0.85 ACHE (0.72) ACHECYP26A1CYP26B1HDAC8NR1H4
SCHEMBL21156766 0.84 ACHE (0.53) ACHECYP26A1CYP26B1HDAC8HDAC2
SCHEMBL11749643 0.84 ACHE (0.70) ACHECYP26A1CYP26B1HDAC8NR1H4
SCHEMBL30479628 0.84 ACHE (0.70) ACHECYP26A1CYP26B1HDAC8NR1H4
SCHEMBL716488 0.84 CES2 (0.65) ACHEHDAC2MEN1KMT2AHDAC3
SCHEMBL10389972 0.82 SMN1; SMN2 (0.54) ACHESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL27857311 0.80 ACHE (0.46) ACHEHDAC8HDAC6RXRARXRB
SCHEMBL11630586 0.80 ACHE (0.55) ACHECYP26A1CYP26B1HDAC8NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 US disclosed
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-20110263591-A1 2-HETEROARYL CARBOXAMIDES BAYER SCHERING PHARMA AG (DE) 2011-10-27 US disclosed
US-20110263591-A1 2-HETEROARYL CARBOXAMIDES BAYER SCHERING PHARMA AG (DE) 2011-10-27 US disclosed
CN-101203482-B Process for producing optically active aminoalkylphenols BASF AG 2011-07-13 CN disclosed
US-7977485-B2 2-heteroaryl carboxamides BAYER SCHERING PHARMA AKTIENGESELLSHAFT (DE) 2011-07-12 US disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 US disclosed
US-20090143412-A1 FUROPYRIDINE AND FUROPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER HEALTHCARE LLC (US) 2009-06-04 US disclosed
US-7429584-B2 Furo[2.3-b]pyridine derivatives for the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-30 US disclosed
CN-101203482-A Process for producing optically active aminoalkylphenols BASF AG (DE) 2008-06-18 CN disclosed
US-6624188-B1 Administered to treat or prevent one or more of the diseases and conditions selected from the group consisting of dermatoses, atherosclerosis and restenosis resulting from neointimal hyperproliferation, non-malignant and ALLERGAN, INC. 2003-09-23 US disclosed
US-5324840-A Skin disorders ALLERGAN, INC. (US) 1994-06-28 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 (9 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS ACHE 3695/4885CYP26A1 3566/4885CYP26B1 2750/4885
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC11 ACHE 486/4885CYP26A1 4295/4885CYP26B1 4168/4885
US-20090143412-A1 FUROPYRIDINE AND FUROPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS NCOR1, NR3C1, NR3C2 ACHE 4872/4885CYP26A1 207/4885CYP26B1 188/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ACHE 33/4885CYP26A1 1148/4885CYP26B1 1565/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ACHE 1463/4885CYP26A1 4165/4885CYP26B1 3841/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 ACHE 971/4885CYP26A1 2393/4885CYP26B1 2814/4885
US-20110263591-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C ACHE 56/4885CYP26A1 2361/4885CYP26B1 2885/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ACHE 33/4885CYP26A1 1148/4885CYP26B1 1565/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS ACHE 3695/4885CYP26A1 3566/4885CYP26B1 2750/4885

“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.