SCHEMBL2689237

SCHEMBL2689237

CC(C)(c1ccccc1)c1ccc(O)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.59
CNR2 P34972 4/20 0.59
ESR1 P03372 6/20 0.57
ESR2 Q92731 6/20 0.57
ALDH1A1 P00352 3/20 0.57
CYP3A4 P08684 2/20 0.57
KLF10 Q13118 1/20 0.46
HSD17B10 Q99714 3/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 2/20 0.43
AR P10275 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR6 P50406 1/20 0.43
ESRRG P62508 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ALOX15 P16050 2/20 0.43
ALOX12 P18054 1/20 0.43
RORC P51449 1/20 0.42
CA1 P00915 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
SCHEMBL4461728 0.92 ESR1 (0.59) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL4467655 0.91 ESR1 (0.60) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL29393508 0.90 ESR1 (0.61) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL29479453 0.90 ESR1 (0.61) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL37041 0.90 ESR1 (0.61) CNR1CNR2ESR1ESR2ALDH1A1
Water SCHEMBL11316268 0.88 ESR1 (0.59) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL30713707 0.87 ESR1 (0.61) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL10865833 0.87 ESR1 (0.61) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL15961467 0.85 ESR1 (0.52) CNR1CNR2ESR1ESR2ALDH1A1
SCHEMBL2030501 0.85 ESR2 (0.68) CNR1CNR2ESR1ESR2ALDH1A1

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
CN-102428061-B Method for producing trisphenols and monoester substituted compounds thereof, and 4-acylaralkylphenol derivative HONSHU CHEMICAL INDUSTRY Co.,Ltd. (JP) 2015-09-30 CN claimed
US-9567281-B2 4-acylaralkylphenols and derivatives thereof HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2017-02-14 US disclosed
CN-104211588-B 4-acylaralkylphenol derivative 本州化学工业株式会社 2017-01-11 CN disclosed
CN-102428061-B Method for producing trisphenols and monoester substituted compounds thereof, and 4-acylaralkylphenol derivative HONSHU CHEMICAL INDUSTRY Co.,Ltd. (JP) 2015-09-30 CN disclosed
US-9090547-B2 Method for producing trisphenols and monoester-substituted products thereof, and 4-acylaralkylphenol derivatives HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2015-07-28 US disclosed
CN-104211588-A 4-acylaralkylphenol derivative HONSHU CHEMICAL IND 2014-12-17 CN disclosed
US-20140221680-A1 4-Acylaralkylphenols and Derivatives Thereof HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2014-08-07 US disclosed
US-20120108853-A1 METHOD FOR PRODUCING TRISPHENOLS AND MONOESTER-SUBSTITUTED PRODUCTS THEREOF, AND 4-ACYLARALKYLPHENOL DERIVATIVES HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2012-05-03 US disclosed
CN-102428061-A Method for producing trisphenols and monoester substituted compounds thereof, and 4-acylaralkylphenol derivative HONSHU CHEMICAL IND 2012-04-25 CN 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 (2 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-20140221680-A1 4-Acylaralkylphenols and Derivatives Thereof UGT1A7, CYP19A1, UGT2B7 CNR1 3721/4885CNR2 3236/4885ESR1 311/4885
US-20120108853-A1 METHOD FOR PRODUCING TRISPHENOLS AND MONOESTER-SUBSTITUTED PRODUCTS THEREOF, AND 4-ACYLARALKYLPHENOL DERIVATIVES CYP19A1, MTTP, CYP4X1 CNR1 4367/4885CNR2 4141/4885ESR1 588/4885

“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.