SCHEMBL10847401

SCHEMBL10847401

Cc1c(Br)c(=O)oc2ccc(O)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 6/20 0.56
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 3/20 0.51
HTT P42858 2/20 0.51
CSNK2A1 P68400 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NSD2 O96028 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
BLM P54132 1/20 0.50
CASP6 P55212 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PDE2A O00408 1/20 0.49
ESR1 P03372 3/20 0.48
ESR2 Q92731 3/20 0.48
CDK5 Q00535 1/20 0.47

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
SCHEMBL2553278 0.87 HSD17B3 (0.75) HSD17B3KDM4EALDH1A1GAAHTT
SCHEMBL10794925 0.87 HSD17B3 (0.60) HSD17B3KDM4ECSNK2A1PDE2AESR1
SCHEMBL10795110 0.86 HSD17B3 (0.73) HSD17B3KDM4ECSNK2A1PDE2AESR1
SCHEMBL10846673 0.84 PDE2A (0.53) HSD17B3KDM4EALDH1A1HTTCSNK2A1
SCHEMBL17861953 0.83 NQO1 (0.51) KDM4EALDH1A1GAAHTTCSNK2A1
SCHEMBL10602309 0.80 NQO1 (0.49) KDM4EALDH1A1GAAHTTCSNK2A1
SCHEMBL10792491 0.80 HSD17B3 (0.77) HSD17B3CSNK2A1PDE2AESR1ESR2
SCHEMBL10792497 0.80 HSD17B3 (0.77) HSD17B3KDM4EALDH1A1GAAHTT
SCHEMBL5161656 0.79 ERAP1 (0.59) HSD17B3KDM4ECSNK2A1SMN1; SMN2LMNA
SCHEMBL17838376 0.78 ALDH1A1 (0.58) KDM4EALDH1A1GAASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303326-B1 HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-12-16 EP disclosed
EP-3303326-B1 HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-12-16 EP disclosed
CN-107531722-B Heterocyclic estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2020-07-17 CN disclosed
US-10053451-B2 Heterocyclic estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2018-08-21 US disclosed
EP-3303326-A1 HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF H. Hoffnabb-La Roche Ag (CH) 2018-04-11 EP disclosed
CN-107531722-A Heterocyclic estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2018-01-02 CN disclosed
CN-107406433-A Derivatives of 2, 3-diphenylchromene for the treatment of cancer 豪夫迈·罗氏有限公司 2017-11-28 CN disclosed
EP-3233818-A1 DERIVATIVES OF 2,3-DIPHENYLCHROMENE USEFUL FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2017-10-25 EP disclosed
US-20160347742-A1 HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-12-01 US disclosed
US-20160347742-A1 HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-12-01 US disclosed
WO-2016189011-A1 HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2016-12-01 WO disclosed
US-20160347742-A1 HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-12-01 US disclosed
WO-2016097073-A1 DERIVATIVES OF 2,3-DIPHENYLCHROMENE USEFUL FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2016-06-23 WO disclosed
US-20160175284-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-06-23 US disclosed
US-20160175284-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-06-23 US disclosed
US-20160175284-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-06-23 US disclosed
US-4618622-A ANTIDEPRESSANTS, ANTIALLERGENS BASF AKTIENGESELLSCHAFT (DE) 1986-10-21 US disclosed
EP-0111746-A2 Sulfonic-acid esters of hydroxycoumarines, their preparation and medicines containing them BASF Aktiengesellschaft (DE) 1984-06-27 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-10053451-B2 Heterocyclic estrogen receptor modulators and uses thereof ESR2, GPER1, ESRRG HSD17B3 102/4885KDM4E 2387/4885ALDH1A1 905/4885
US-20160175284-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, GPER1, ESR1 HSD17B3 75/4885KDM4E 2934/4885ALDH1A1 1132/4885
US-20160347742-A1 HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, GPER1, ESRRG HSD17B3 102/4885KDM4E 2387/4885ALDH1A1 905/4885

“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.