SCHEMBL10080952

SCHEMBL10080952

CC(C)c1cccc(-c2ccco2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.50
KEAP1 Q14145 1/20 0.49
TAAR1 Q96RJ0 3/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
PTGS1 P23219 1/20 0.41
ERN1 O75460 1/20 0.39
PTPN5 P54829 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PSMB5 P28074 1/20 0.38
PGR P06401 1/20 0.38

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
SCHEMBL28406323 0.86 PRMT6 (0.47) PRMT6KEAP1TAAR1PTGS1ERN1
SCHEMBL29793581 0.86 PRMT6 (0.47) PRMT6KEAP1TAAR1PTGS1ERN1
SCHEMBL28269492 0.85 KEAP1 (0.49) PRMT6KEAP1TAAR1ERN1KDM4E
SCHEMBL26244713 0.81 RXRA (0.39) PRMT6KEAP1TAAR1RXRARXRB
SCHEMBL4266768 0.79 KEAP1 (0.51) PRMT6KEAP1TAAR1ERN1KDM4E
SCHEMBL27705864 0.79 KEAP1 (0.51) PRMT6KEAP1TAAR1ERN1KDM4E
SCHEMBL10248275 0.79 TAAR1 (0.61) TAAR1PTGS1KDM4ENPC1ALDH1A1
SCHEMBL24726645 0.77 TAAR1 (0.42) PRMT6KEAP1TAAR1PTGS1ERN1
SCHEMBL17773147 0.77 TAAR1 (0.42) PRMT6TAAR1PTGS1KDM4ENPC1
SCHEMBL16775719 0.77 TAAR1 (0.42) PRMT6KEAP1TAAR1PTGS1ERN1

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
CN-105209449-B Inhibitors of the kynurenine pathway 库拉德夫制药私人有限公司 2019-02-01 CN claimed
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 US disclosed
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 US disclosed
US-20100087382-A1 Inhibitors of Hepatitis C NS3 Protease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-08 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 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 (4 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-20100087382-A1 Inhibitors of Hepatitis C NS3 Protease RNASE1, GTF3C3, CTRL PRMT6 862/4885KEAP1 518/4885TAAR1 3072/4885
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS PRMT6 176/4885KEAP1 4636/4885TAAR1 121/4885
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK PRMT6 1544/4885KEAP1 2520/4885TAAR1 4151/4885
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS PIK3CA, PIK3CD, PIK3CG PRMT6 3423/4885KEAP1 1531/4885TAAR1 4343/4885

“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.