SCHEMBL19003617

SCHEMBL19003617

CCC(C)c1ccc(F)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
KCNH2 Q12809 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
DHFR P00374 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL19121664 1.00 KDM4E (0.43) KDM4EKCNH2SMN1; SMN2USP2DHFR
SCHEMBL24974002 0.86 KDM4E (0.41) KDM4EKCNH2SMN1; SMN2USP2DHFR
SCHEMBL18713943 0.86 KDM4E (0.43) KDM4ESMN1; SMN2USP2TSHRHTR2A
SCHEMBL18713690 0.84 KDM4E (0.44) KDM4EKCNH2SMN1; SMN2USP2DHFR
SCHEMBL21264332 0.81 HRH4 (0.39) KDM4EKCNH2TSHRHTR2AL3MBTL1
SCHEMBL765434 0.81 GAA (0.43) KDM4EKCNH2L3MBTL1
SCHEMBL31280268 0.81 KDM4E (0.42) KDM4EKCNH2HTR2A
SCHEMBL31280738 0.81 PDE2A (0.45) KDM4EKCNH2TSHR
SCHEMBL10175139 0.80 HDAC4 (0.43) SMN1; SMN2TSHRALDH1A1LMNATP53
SCHEMBL12606793 0.80 CA12 (0.50) HTR2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2020-07-09 US disclosed
US-10604507-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-03-31 US disclosed
US-10308652-B2 Tricyclic heterocyclic compounds useful as inhibitors of TNF BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-04 US disclosed
US-20180111937-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TNF BRISTOL MYERS SQUIBB CO (US) 2018-04-26 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
EP-2938344-B1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME (US) 2017-06-21 EP disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 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 (6 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-10604507-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R KDM4E 4387/4885KCNH2 3399/4885SMN1; SMN2 2938/4885
US-20180111937-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TNF TNF, TNFRSF1A, TNFRSF9 KDM4E 2815/4885KCNH2 1802/4885SMN1; SMN2 4361/4885
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 KDM4E 2757/4885KCNH2 1115/4885SMN1; SMN2 2373/4885
US-10308652-B2 Tricyclic heterocyclic compounds useful as inhibitors of TNF TNF, TNFRSF1A, TNFRSF9 KDM4E 2815/4885KCNH2 1802/4885SMN1; SMN2 4361/4885
US-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R KDM4E 4387/4885KCNH2 3399/4885SMN1; SMN2 2938/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 KDM4E 2973/4885KCNH2 64/4885SMN1; SMN2 4751/4885

“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.