SCHEMBL765776

SCHEMBL765776

CC(=O)OC(c1ccccc1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP19A1 P11511 7/20 0.48
TACR3 P29371 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
KMT2A Q03164 1/20 0.42
PABPC1 P11940 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.41
CYP2D6 P10635 1/20 0.40

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
SCHEMBL16729219 1.00 CYP3A4 (0.53) CYP3A4ALDH1A1CYP19A1TACR3HCAR2
SCHEMBL12199933 0.90 CYP3A4 (0.58) CYP3A4ALDH1A1CYP19A1KMT2APABPC1
SCHEMBL18759651 0.88 CYP3A4 (0.53) CYP3A4ALDH1A1CYP19A1HCAR2KMT2A
SCHEMBL24931236 0.85 CYP3A4 (0.50) CYP3A4ALDH1A1CYP19A1HCAR2TSHR
SCHEMBL6250864 0.85 CYP3A4 (0.50) CYP3A4ALDH1A1CYP19A1HCAR2TSHR
SCHEMBL4407732 0.85 CYP3A4 (0.50) CYP3A4ALDH1A1CYP19A1HCAR2TSHR
Hydrochloric Acid SCHEMBL6250414 0.83 CYP3A4 (0.49) CYP3A4ALDH1A1CYP19A1HCAR2TSHR
Hydrochloric Acid SCHEMBL6248395 0.83 CYP3A4 (0.49) CYP3A4ALDH1A1CYP19A1HCAR2TSHR
SCHEMBL9094896 0.82 CYP1A2 (0.46) CYP3A4ALDH1A1TACR3HCAR2KMT2A
SCHEMBL31060300 0.82 CYP1A2 (0.46) CYP3A4ALDH1A1TACR3HCAR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023069548-A1 MALODOR-COUNTERACTING COMPOUNDS, COMPOSITIONS, AND USES THEREOF INTERNATIONAL FLAVORS AND FRAGRANCES INC. (US) 2023-04-27 WO claimed
JP-1222078-A None JP disclosed
US-11062794-B2 Olfactory signature and odorant mixture having the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-07-13 US disclosed
US-20180253534-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-09-06 US disclosed
US-9959392-B2 Olfactory signature and odorant mixture having the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-05-01 US disclosed
US-20140221269-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2014-08-07 US disclosed
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
WO-2013035070-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2013-03-14 WO disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-20070265325-A1 Nitro Indazole Derivatives ASTRAZENECA AB (SE) 2007-11-15 US disclosed
US-20070265325-A1 Nitro Indazole Derivatives ASTRAZENECA AB (SE) 2007-11-15 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
JP-H01222078-A PRODUCTION OF ALPHA-ARYL ACETIC ACIDS SHONO TATSUYA 1989-09-05 JP disclosed
US-4601797-A Electrochemical carboxylation of p-isobutylacetophenone and other aryl ketones MONSANTO COMPANY (US) 1986-07-22 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CYP3A4 537/4885ALDH1A1 2353/4885CYP19A1 291/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CYP3A4 537/4885ALDH1A1 2353/4885CYP19A1 291/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CYP3A4 537/4885ALDH1A1 2353/4885CYP19A1 291/4885
US-20070265325-A1 Nitro Indazole Derivatives NOS3, CYP3A43, NOS2 CYP3A4 4/4885ALDH1A1 490/4885CYP19A1 720/4885

“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.