SCHEMBL4911331

SCHEMBL4911331

O=C(Cc1ccccc1)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.69
CRHR2 Q13324 1/20 0.69
TSHR P16473 1/20 0.65
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PAM P19021 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
KLK7 P49862 2/20 0.49
CNR2 P34972 1/20 0.49
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
AKR1B1 P15121 1/20 0.48
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
CYP19A1 P11511 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL11375689 0.90 ESR1 (0.58) CRHBPCRHR2TSHRMAPK1ALDH1A1
SCHEMBL7525118 0.88 CRHBP (0.56) CRHBPCRHR2TSHRMAPK1ALDH1A1
SCHEMBL11460504 0.88 KLK7 (0.64) CRHBPCRHR2TSHRALDH1A1L3MBTL1
SCHEMBL7042604 0.85 CRHBP (0.54) CRHBPCRHR2TSHRMAPK1ALDH1A1
SCHEMBL8054787 0.85 TSHR (0.65) CRHBPCRHR2TSHRMAPK1ALDH1A1
SCHEMBL11627976 0.84 CRHBP (0.52) CRHBPCRHR2TSHRALDH1A1SMN1; SMN2
SCHEMBL7019908 0.84 CRHBP (0.58) CRHBPCRHR2TSHRMAPK1ALDH1A1
SCHEMBL14088158 0.83 TSHR (0.54) CRHBPCRHR2TSHRALDH1A1SMN1; SMN2
SCHEMBL6676165 0.83 ALDH1A1 (0.56) CRHBPCRHR2TSHRALDH1A1L3MBTL1
SCHEMBL9875296 0.82 CRHBP (0.60) CRHBPCRHR2TSHRMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4366316-A FROM OXAZOLINOAZETIDINONE AND ACID SHIONOGI & CO., LTD. (JP) 1982-12-28 US claimed
EP-1791901-B1 STABILIZATION OF ORGANIC MATERIALS BASF SE (DE) 2018-03-28 EP disclosed
US-9051448-B2 Stabilization of organic materials BASF SE (DE) 2015-06-09 US disclosed
CN-101649203-B Stabilization of organic materials CIBA SC HOLDING AG 2013-12-18 CN disclosed
CN-101023128-B Stabilization of organic materials CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2012-02-22 CN disclosed
CN-101649203-A Stabilization of organic materials CIBA SC HOLDING AG CH 2010-02-17 CN disclosed
US-20080269382-A1 Stabilization of Organic Materials BASF SE (DE) 2008-10-30 US disclosed
CN-101023128-A Stabilization of organic materials CIBA SC HOLDING AG (CH) 2007-08-22 CN disclosed
EP-1791901-A2 STABILIZATION OF ORGANIC MATERIALS Ciba SC Holding AG (CH) 2007-06-06 EP disclosed
WO-2006024611-A2 STABILIZATION OF ORGANIC MATERIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-03-09 WO disclosed
CN-1075808-C Aniline derivatives having nitric oxide synthase inhibitory activity CHUGAI PHARMACEUTICAL CO LTD (JP) 2001-12-05 CN disclosed
CN-1019969-C synthesis method of conjugated carboxylic alkenoic acid SHIONOGI & CO (JP) 1993-03-03 CN disclosed
CN-85101417-A Method for synthesizing acrylic acid 1987-01-10 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 (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-20080269382-A1 Stabilization of Organic Materials LPO, PPOX, HMOX1 CRHBP 4308/4885CRHR2 4736/4885TSHR 4809/4885

“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.