SCHEMBL1805780

SCHEMBL1805780

COc1ccc(-c2ccc(O)cc2C)cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.59
ESR1 P03372 6/20 0.59
HSD17B1 P14061 1/20 0.50
FGFR1 P11362 1/20 0.47
PTGS2 P35354 2/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
POLH Q9Y253 1/20 0.44
PTGS1 P23219 1/20 0.43
NPC1 O15118 1/20 0.43
ATM Q13315 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42

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
SCHEMBL31703288 0.85 MAOB (0.58) ESR2ESR1PTGS2MAOBALDH1A1
SCHEMBL263095 0.85 MAOB (0.58) ESR2ESR1PTGS2MAOBALDH1A1
SCHEMBL12660789 0.80 ESR2 (0.69) ESR2ESR1HSD17B1FGFR1
SCHEMBL14499509 0.79 CYP1A2 (0.45) PTGS2PTGS1
SCHEMBL24181236 0.79 ESR2 (0.62) ESR2ESR1HSD17B1MAOBALDH1A1
SCHEMBL3679355 0.78 ESR2 (0.67) ESR2ESR1HSD17B1FGFR1
SCHEMBL6736132 0.78 ESR2 (0.67) ESR2ESR1HSD17B1FGFR1
SCHEMBL29738442 0.77 ESR2 (0.76) ESR2ESR1HSD17B1FGFR1
SCHEMBL439874 0.77 ESR2 (0.76) ESR2ESR1HSD17B1FGFR1
SCHEMBL5688026 0.77 FYN (0.48) ESR2ESR1PTGS2ALDH1A1LMNA

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-2496544-A1 GPBP INHIBITION USING Q2 PEPTIDOMIMETICS Fibrostatin, S.L. (SE) 2012-09-12 EP claimed
WO-2011054530-A1 GPBP INHIBITION USING Q2 PEPTIDOMIMETICS FIBROSTATIN, S.L. (ES) 2011-05-12 WO claimed
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2011-05-05 US claimed
US-10544083-B2 GPBP inhibition using Q2 peptidomimetics UNIVERSITAT DE VALÈNCIA (ES) 2020-01-28 US disclosed
US-10544083-B2 GPBP inhibition using Q2 peptidomimetics UNIVERSITAT DE VALÈNCIA (ES) 2020-01-28 US disclosed
US-20180179139-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2018-06-28 US disclosed
US-20180179139-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2018-06-28 US disclosed
US-20160083327-A1 GPBP inhibition using Q2 peptidomimetics JUAN SAUS (ES) 2016-03-24 US disclosed
US-20160083327-A1 GPBP inhibition using Q2 peptidomimetics JUAN SAUS (ES) 2016-03-24 US disclosed
US-9199936-B2 GPBP inhibition using Q2 peptidomimetics Fibrostatin Sociedad Limitada (ES) 2015-12-01 US disclosed
US-9199936-B2 GPBP inhibition using Q2 peptidomimetics Fibrostatin Sociedad Limitada (ES) 2015-12-01 US disclosed
EP-2496544-B1 GPBP INHIBITION USING Q2 PEPTIDOMIMETICS FIBROSTATIN S L (SE) 2014-08-20 EP disclosed
EP-2496544-B1 GPBP INHIBITION USING Q2 PEPTIDOMIMETICS FIBROSTATIN S L (SE) 2014-08-20 EP disclosed
US-20140080852-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2014-03-20 US disclosed
US-20140080852-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2014-03-20 US disclosed
US-8586776-B2 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2013-11-19 US disclosed
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2011-05-05 US disclosed
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2011-05-05 US 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 (5 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-10544083-B2 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 ESR2 363/4885ESR1 727/4885HSD17B1 2370/4885
US-20140080852-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 ESR2 363/4885ESR1 727/4885HSD17B1 2370/4885
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 ESR2 363/4885ESR1 727/4885HSD17B1 2370/4885
US-20180179139-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 ESR2 363/4885ESR1 727/4885HSD17B1 2370/4885
US-20160083327-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 ESR2 363/4885ESR1 727/4885HSD17B1 2370/4885

“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.