SCHEMBL789550

SCHEMBL789550

Fc1[c]cc2c(c1)OCO2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGS2 P35354 3/20 0.32
PTGS1 P23219 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ATM Q13315 1/20 0.31
CMA1 P23946 1/20 0.31
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL910353 0.86 ITGB2 (0.33) ALDH1A1PTGS2PTGS1HTT
SCHEMBL717364 0.73 CYP3A4 (0.35) CYP3A4ABCG2ALDH1A1HSD17B10TDP1
SCHEMBL11789243 0.73 MEN1 (0.37) CYP3A4ABCG2ALDH1A1HSD17B10TDP1
SCHEMBL7047825 0.73 CYP3A4 (0.35) CYP3A4ABCG2ALDH1A1HSD17B10TDP1
SCHEMBL1096290 0.73 CYP3A4 (0.35) CYP3A4ABCG2ALDH1A1HSD17B10TDP1
SCHEMBL3113441 0.73 CYP3A4 (0.35) CYP3A4ABCG2ALDH1A1HSD17B10TDP1
SCHEMBL20562946 0.69 KMT2A (0.35) KMT2AMAPK1HTT
SCHEMBL4403183 0.68 LMNA (0.41) CYP3A4ALDH1A1MAPK1HTTATM
SCHEMBL20564350 0.68 HSD17B10 (0.33) CYP3A4ABCG2ALDH1A1HSD17B10TDP1
SCHEMBL20581554 0.68 PRKCI (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 US disclosed
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 US disclosed
EP-2038041-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER Myriad Genetics, Inc. (US) 2009-03-25 EP disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 US disclosed
WO-2007134298-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INC. (US) 2007-11-22 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-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 CYP3A4 2120/4885ABCG2 67/4885ALDH1A1 201/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 CYP3A4 2120/4885ABCG2 67/4885ALDH1A1 201/4885

“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.