SCHEMBL10023965

SCHEMBL10023965

Cc1ccc(-c2ccc(CO)c(C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.40
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
MCL1 Q07820 1/20 0.39
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
RXRG P48443 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
ICMT O60725 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36

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
SCHEMBL14524942 0.86 RXRA (0.41) S1PR1RXRARXRBRXRGGRIN1
SCHEMBL5263743 0.86 PDCD1 (0.48) S1PR1RXRARXRBRAB9ARXRG
SCHEMBL19111150 0.86 KIF11 (0.43) S1PR1RXRARXRBRXRGGRIN1
SCHEMBL7945344 0.84 TNKS2 (0.40) S1PR1RXRARXRBRXRGGRIN1
SCHEMBL14524935 0.84 ALOX5 (0.44) S1PR1RXRARXRBRXRGGRIN1
SCHEMBL14609645 0.84 S1PR1 (0.38) S1PR1RXRARXRBRXRGGRIN1
SCHEMBL14525317 0.84 S1PR1 (0.41) S1PR1RXRARXRBRAB9AMEN1
SCHEMBL7330961 0.83 HPGD (0.44) MCL1RAB9AMEN1KMT2ANPC1
SCHEMBL21753414 0.82 PRKCI (0.49) S1PR1RAB9AMEN1KMT2ANPC1
SCHEMBL95787 0.82 TP53 (0.48) RAB9AMEN1KMT2ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232242-A1 THIAZOLOTHIAZOLE COMPOUND AND THIAZOLOTHIAZOLE POLYMER FUJI XEROX CO., LTD. (JP) 2012-09-13 US disclosed
US-8207348-B2 Thiazolothiazole compound and thiazolothiazole polymer FUJI XEROX CO., LTD. (JP) 2012-06-26 US disclosed
US-20110086999-A1 THIAZOLOTHIAZOLE COMPOUND AND THIAZOLOTHIAZOLE POLYMER FUJI XEROX CO., LTD. (JP) 2011-04-14 US disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
WO-2007015588-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-08 WO 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 (2 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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 S1PR1 94/4885RXRA 3555/4885RXRB 3372/4885
US-20110086999-A1 THIAZOLOTHIAZOLE COMPOUND AND THIAZOLOTHIAZOLE POLYMER ARL1, IRAK1, TYK2 S1PR1 3848/4885RXRA 2472/4885RXRB 2112/4885

“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.