SCHEMBL18538397

SCHEMBL18538397

Cc1cc(C(C)C)c2n(c1=O)CCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 3/20 0.35
USP2 O75604 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL18538401 0.95 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AHSD17B10USP2
SCHEMBL25808458 0.88 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AHSD17B10USP2
SCHEMBL25822316 0.86 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AHSD17B10USP2
SCHEMBL18163716 0.84 HPGD (0.38) ALDH1A1HSD17B10USP2HPGDKDM4E
SCHEMBL18163726 0.79 CNR1 (0.39) ALDH1A1HSD17B10USP2HPGDKDM4E
SCHEMBL18152636 0.76 PDE3B (0.39) ALDH1A1HSD17B10USP2HPGDLMNA
SCHEMBL25809316 0.73 PDE3B (0.36) ALDH1A1HSD17B10USP2HPGDKDM4E
SCHEMBL25808621 0.73 CNR1 (0.32) ALDH1A1MEN1KMT2AHSD17B10USP2
SCHEMBL29161624 0.71 POLB (0.41) ALDH1A1HSD17B10USP2HPGDLMNA
SCHEMBL25808122 0.71 PDE3B (0.45) ALDH1A1MEN1KMT2AHSD17B10USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125182-A1 PROPIONIC ACID DERIVATIVE AND MEDICAL USE THEREOF 海思科医药集团股份有限公司 2023-07-06 WO disclosed
US-10807982-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-10-20 US disclosed
US-20200071332-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-03-05 US disclosed
US-20180134710-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-17 US disclosed
US-20180134710-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-17 US disclosed
US-9908885-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 US disclosed
US-9908885-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 US disclosed
US-20170050968-A1 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. 2017-02-23 US disclosed
US-20170050968-A1 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. 2017-02-23 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 (4 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-20200071332-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 ALDH1A1 3316/4885MEN1 3343/4885KMT2A 77/4885
US-20170050968-A1 BROMODOMAIN INHIBITOR BRD3, BRPF3, EP300 ALDH1A1 3261/4885MEN1 3336/4885KMT2A 74/4885
US-10807982-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 ALDH1A1 3316/4885MEN1 3343/4885KMT2A 77/4885
US-20180134710-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 ALDH1A1 3316/4885MEN1 3343/4885KMT2A 77/4885

“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.