SCHEMBL2646831

SCHEMBL2646831

CC(C)(C)Cc1ccc(C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
CYP2A6 P11509 4/20 0.46
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
ALDH1A1 P00352 7/20 0.43
ALDH1A3 P47895 3/20 0.43
ALDH3A1 P30838 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TYR P14679 1/20 0.41
CYP2A13 Q16696 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
NR3C1 P04150 1/20 0.39
NR3C2 P08235 1/20 0.39

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
SCHEMBL1611331 0.82 ESR1 (0.52) ESR1THRATHRBEPHX2NR1H4
SCHEMBL6685103 0.80 ESR1 (0.74) ESR1THRATHRBALDH1A1LMNA
SCHEMBL30378831 0.79 EPHX2 (0.43) ESR1THRATHRBCYP2A6EPHX2
SCHEMBL1612743 0.79 ESR1 (0.54) ESR1THRATHRBLMNA
SCHEMBL17103339 0.78 CYP2A6 (0.43) CYP2A6EPHX2NR1H4ALDH1A1ALDH1A3
SCHEMBL5642386 0.78 EPHX2 (0.45) THRATHRBCYP2A6EPHX2NR1H4
SCHEMBL12981491 0.78 CYP2A6 (0.43) ESR1CYP2A6EPHX2NR1H4ALDH1A1
SCHEMBL6536342 0.77 CYP2A6 (0.41) CYP2A6EPHX2NR1H4ALDH1A1ALDH1A3
SCHEMBL3026921 0.77 HSD17B10 (0.46) CYP2A6EPHX2NR1H4ALDH1A1ALDH1A3
SCHEMBL1611980 0.77 THRA (0.53) ESR1THRATHRBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11035541-A None JP disclosed
US-12116338-B2 Aldehyde compound and method for producing same, and fragrance composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-10-15 US disclosed
CN-114555552-B Aldehyde compound, process for producing the same, and perfume composition 三菱瓦斯化学株式会社 2024-06-14 CN disclosed
US-20240158331-A1 ALDEHYDE COMPOUND AND METHOD FOR PRODUCING SAME, AND FRAGRANCE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-05-16 US disclosed
US-11911403-B2 Antisense-induced exon exclusion in type VII collagen SAREPTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
EP-4046985-B1 ALDEHYDE COMPOUND AND METHOD FOR PRODUCING SAME, AND FRAGRANCE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2023-11-01 EP disclosed
EP-4046985-B1 ALDEHYDE COMPOUND AND METHOD FOR PRODUCING SAME, AND FRAGRANCE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2023-11-01 EP disclosed
EP-4046985-A1 ALDEHYDE COMPOUND AND METHOD FOR PRODUCING SAME, AND FRAGRANCE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-08-24 EP disclosed
CN-114555552-A Aldehyde compound, process for producing the same, and perfume composition 三菱瓦斯化学株式会社 2022-05-27 CN disclosed
WO-2021075517-A1 ALDEHYDE COMPOUND AND METHOD FOR PRODUCING SAME, AND FRAGRANCE COMPOSITION 三菱瓦斯化学株式会社 2021-04-22 WO disclosed
EP-2923573-A1 METHOD FOR PROMOTING PLANT GROWTH Sumitomo Chemical Company Limited (JP) 2015-09-30 EP disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 US disclosed
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 US disclosed
EP-1463715-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-10-06 EP disclosed
US-6762318-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIZED SECONDARY AMIDES; ORAL ADMINISTRATION NOVO NORDISK A/S (DK) 2004-07-13 US disclosed
US-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents PFIZER INC 2003-12-25 US disclosed
WO-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 WO disclosed
WO-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 WO disclosed
JP-H1135541-A BENZOPHENONE HYDRORAZONE DERIVATIVE AND INSECTICIDE NIPPON BAYERAGROCHEM KK 1999-02-09 JP 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 (7 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-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents GPR119, GLP1R, GIPR ESR1 595/4885THRA 163/4885THRB 88/4885
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 ESR1 4307/4885THRA 4710/4885THRB 4059/4885
US-12116338-B2 Aldehyde compound and method for producing same, and fragrance composition ALDH1A1, ALDH16A1, ALDH5A1 ESR1 3077/4885THRA 4161/4885THRB 4700/4885
US-20240158331-A1 ALDEHYDE COMPOUND AND METHOD FOR PRODUCING SAME, AND FRAGRANCE COMPOSITION ALDH1A1, ALDH16A1, ALDH5A1 ESR1 3077/4885THRA 4161/4885THRB 4700/4885
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 ESR1 2703/4885THRA 748/4885THRB 735/4885
US-11911403-B2 Antisense-induced exon exclusion in type VII collagen COL2A1, COL14A1, COL1A1 ESR1 3020/4885THRA 3797/4885THRB 2847/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 ESR1 4307/4885THRA 4710/4885THRB 4059/4885

“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.