SCHEMBL301752

SCHEMBL301752

COc1cc2c(cc1OC)C(C)(C)CC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
PGR P06401 5/20 0.44
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42
KLK7 P49862 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 1/20 0.40
ACHE P22303 1/20 0.39
SLC2A1 P11166 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
NTSR1 P30989 1/20 0.37
RXRA P19793 1/20 0.37

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
SCHEMBL5397188 0.88 PGR (0.43) CA1CA2CA7CA9PGR
SCHEMBL14428501 0.88 TNFSF11 (0.55) CA1CA2CA7CA9PGR
SCHEMBL5400962 0.86 ACHE (0.45) CA1CA2CA7CA9PGR
SCHEMBL8595488 0.86 PGR (0.50) CA1CA2CA7CA9PGR
SCHEMBL4233485 0.86 ACHE (0.45) CA1CA2CA7CA9PGR
SCHEMBL6554850 0.84 PDE4B (0.37) CA1CA2CA7CA9PGR
SCHEMBL6553226 0.84 PDE4B (0.37) CA1CA2CA7CA9PGR
SCHEMBL14428500 0.83 PDE4A (0.41) CA1CA2CA7CA9PGR
SCHEMBL21344820 0.83 CA1 (0.46) CA1CA2CA7CA9KDM4E
Indene SCHEMBL28198638 0.80 TUBB4A (0.37) PGRKDM4EALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109475490-A Hair care composition containing wheat bran extract 西姆莱斯股份公司 2019-03-15 CN disclosed
CN-109310620-A A kind of Haircare composition 西姆莱斯股份公司 2019-02-05 CN disclosed
US-9676691-B2 Method for producing indanone derivatives SYMRISE AG (DE) 2017-06-13 US disclosed
US-9676691-B2 Method for producing indanone derivatives SYMRISE AG (DE) 2017-06-13 US disclosed
US-9676691-B2 Method for producing indanone derivatives SYMRISE AG (DE) 2017-06-13 US disclosed
EP-2404595-B1 Method for manufacturing indanone derivatives SYMRISE AG (DE) 2015-08-05 EP disclosed
EP-2404595-B1 Method for manufacturing indanone derivatives SYMRISE AG (DE) 2015-08-05 EP disclosed
US-20150071866-A1 METHOD FOR PRODUCING INDANONE DERIVATIVES SYMRISE AG (DE) 2015-03-12 US disclosed
US-20150071866-A1 METHOD FOR PRODUCING INDANONE DERIVATIVES SYMRISE AG (DE) 2015-03-12 US disclosed
US-20150071866-A1 METHOD FOR PRODUCING INDANONE DERIVATIVES SYMRISE AG (DE) 2015-03-12 US disclosed
WO-2002086878-A2 OPTICAL DATA CARRIER WHOSE INFORMATION LAYER CONTAINS A LIGHT-ABSORBING COMPOUND HAVING A NUMBER OF CHROMOPHORIC CENTERS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-31 WO disclosed
US-20020155381-A1 Optical data carrier comprising a light-absorbent compound having a plurality of chromophoric centres in the information layer LANXESS DEUTSCHLAND GMBH (DE) 2002-10-24 US disclosed
US-20020143203-A1 Novel indanylidene compounds SYMRISE GMBH & CO. KG (DE) 2002-10-03 US disclosed
US-6416746-B1 ULTRAVIOLET RAY AND LIGHT SCREENING MATERIAL GRAFTED TO SILANE, OLIGOSILOXANE, OR POLYSILOXANE WITH IMPROVED SOLUBILITY AND LITTLE PENETRATION; FOR USE IN COSMETICS ROCHE VITAMINS INC. 2002-07-09 US disclosed
WO-2002038537-A1 NOVEL INDANYLIDENE COMPOUNDS HAARMANN & REIMER GMBH (DE) 2002-05-16 WO disclosed
US-20020042414-A1 Diamide compound and medicine containing the same KOWA CO., LTD. (JP) 2002-04-11 US disclosed
US-6340682-B1 FOR THERAPY OF ALLERGIC IMMUNOLOGICAL DISEASE IS SELECTED FROM ASTHMA, ALLERGIC RHINITIS, INFLAMMATORY LARGE BOWEL DISEASE OR CONTACT DERMATITIS KOWA CO., LTD. (JP) 2002-01-22 US disclosed
CN-1253943-A New 2,3-dihydroindene compound HOFFMANN LA ROCHE (CH) 2000-05-24 CN disclosed
EP-1000950-A2 Novel indanylidene compounds F. HOFFMANN-LA ROCHE AG (CH) 2000-05-17 EP disclosed
EP-0926138-A1 DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-06-30 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 (3 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-20020143203-A1 Novel indanylidene compounds CUTA, NISCH, ERCC4 CA1 4843/4885CA2 4645/4885CA7 4120/4885
US-20020042414-A1 Diamide compound and medicine containing the same HRH4, HRH2, HRH1 CA1 639/4885CA2 40/4885CA7 210/4885
US-20150071866-A1 METHOD FOR PRODUCING INDANONE DERIVATIVES CYP1B1, IDH3B, CYP11B1 CA1 3835/4885CA2 3261/4885CA7 953/4885

“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.