SCHEMBL3368781

SCHEMBL3368781

Cc1cc(C)c2c(c1)C(C)(C)CC2=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
PGR P06401 4/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.37
OPRM1 P35372 2/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
BRD4 O60885 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDK2 Q15119 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL6256987 0.73 PGR (0.44) PGRHTTOPRM1ALDH1A1KDM4E
SCHEMBL10796689 0.72 HTT (0.46) TSHRHTTKMT2AOPRM1ALDH1A1
SCHEMBL3368868 0.69 PGR (0.69) PGRHTTKMT2AALDH1A1KDM4E
SCHEMBL9056337 0.69 PGR (0.44) TSHRPGRHTTKMT2AALDH1A1
SCHEMBL68894 0.69 TSHR (0.60) TSHRHTTKMT2AALDH1A1KDM4E
SCHEMBL68866 0.69 TSHR (0.39) TSHRHTTOPRM1ALDH1A1KDM4E
SCHEMBL4830158 0.68 PGR (0.50) TSHRPGRHTTKMT2AALDH1A1
SCHEMBL11550128 0.67 HTT (0.42) TSHRHTTKMT2AOPRM1ALDH1A1
SCHEMBL10199560 0.66 TSHR (0.37) TSHRHTTALDH1A1HPGD
SCHEMBL568994 0.65 PGR (0.55) PGRHTTALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478616-B1 INDANES AND INDANONES AND THEIR USE IN PERFUMERY GIVAUDAN SA (CH) 2010-09-22 EP claimed
CN-1329365-C Indanes and indanones and their use in perfumery GIVAUDAN SA (CH) 2007-08-01 CN claimed
US-20050148493-A1 Indanes and indanones and their use in perfumery FLACHSMANN FELIX (CH) 2005-07-07 US claimed
CN-1615294-A Indanes and indanones and their use in perfumery GIVAUDAN SA (CH) 2005-05-11 CN claimed
EP-1340741-A1 Indane derivatives and their use in perfumery Givaudan SA (CH) 2003-09-03 EP claimed
EP-1478616-B1 INDANES AND INDANONES AND THEIR USE IN PERFUMERY GIVAUDAN SA (CH) 2010-09-22 EP disclosed
US-7538243-B2 Indanes and indanones and their use in perfumery GIVAUDAN SA (CH) 2009-05-26 US disclosed
CN-1329365-C Indanes and indanones and their use in perfumery GIVAUDAN SA (CH) 2007-08-01 CN disclosed
US-20050148493-A1 Indanes and indanones and their use in perfumery FLACHSMANN FELIX (CH) 2005-07-07 US disclosed
CN-1615294-A Indanes and indanones and their use in perfumery GIVAUDAN SA (CH) 2005-05-11 CN disclosed
EP-1340741-A1 Indane derivatives and their use in perfumery Givaudan SA (CH) 2003-09-03 EP disclosed
EP-0567953-B1 Process for the preparation of substituted indanones HOECHST AG (DE) 1996-03-13 EP disclosed
US-5329049-A Process for the preparation of substituted indanones HOECHST AKTIENGESELLSCHAFT (DE) 1994-07-12 US disclosed
EP-0567953-A1 Process for the preparation of substituted indanones HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-03 EP 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-20050148493-A1 Indanes and indanones and their use in perfumery NISCH, CYP1B1, CYP2E1 TSHR 4768/4885PGR 798/4885HTT 4828/4885

“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.