SCHEMBL756980

SCHEMBL756980

COCCOC(=O)c1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
TSHR P16473 3/20 0.56
RAB9A P51151 4/20 0.53
MAPT P10636 4/20 0.53
NPC1 O15118 3/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 2/20 0.52
ABCB11 O95342 1/20 0.52
ADRA2B P18089 1/20 0.52
OPRD1 P41143 1/20 0.52
SCN5A Q14524 1/20 0.52
ESR1 P03372 3/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50
KDR P35968 1/20 0.50
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL14926636 0.95 TDP1 (0.53) TDP1TSHRRAB9AMAPTNPC1
SCHEMBL16130571 0.95 CYP3A4 (0.59) TDP1TSHRRAB9AMAPTNPC1
SCHEMBL15430835 0.95 CYP3A4 (0.59) TDP1TSHRRAB9AMAPTNPC1
SCHEMBL14926665 0.95 TDP1 (0.53) TDP1TSHRRAB9AMAPTNPC1
SCHEMBL9969969 0.92 TSHR (0.64) TDP1TSHRRAB9AMAPTNPC1
SCHEMBL206554 0.92 TDP1 (0.61) TDP1TSHRRAB9AMAPTNPC1
SCHEMBL14926647 0.90 TDP1 (0.49) TDP1TSHRRAB9AMAPTNPC1
SCHEMBL14926615 0.89 TDP1 (0.56) TDP1TSHRRAB9AMAPTNPC1
SCHEMBL9928660 0.86 CYP3A4 (0.66) TDP1TSHRRAB9AMAPTNPC1
SCHEMBL16640624 0.86 MAPT (0.60) TDP1TSHRRAB9AMAPTNPC1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3309148-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2018-04-18 EP disclosed
US-9828360-B2 Pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-28 US disclosed
US-9822118-B2 Bicyclic heteroaryl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-21 US disclosed
US-9810821-B2 Infrared ray cutoff filter FUJIFILM CORPORATION (JP) 2017-11-07 US disclosed
US-9810821-B2 Infrared ray cutoff filter FUJIFILM CORPORATION (JP) 2017-11-07 US disclosed
US-9790210-B2 N-(monocyclic aryl),N'-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-10-17 US disclosed
US-20170217936-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2017-08-03 US disclosed
EP-2766346-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-03-29 EP disclosed
US-9562055-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-02-07 US disclosed
US-9546156-B2 N-bicyclic aryl,N'-pyrazolyl urea, thiourea, guanidine cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-01-17 US disclosed
US-20150293281-A1 CURABLE RESIN COMPOSITION FOR FORMING INFRARED REFLECTIVE FILM, INFRARED REFLECTIVE FILM AND MANUFACTURING METHOD THEREOF, INFRARED RAY CUT-OFF FILTER, AND SOLID-STATE IMAGING DEVICE USING THE SAME FUJIFILM CORPORATION (JP) 2015-10-15 US disclosed
US-20150277002-A1 CURABLE RESIN COMPOSITION, INFRARED RAY CUTOFF FILTER AND SOLID-STATE IMAGING DEVICE USING THE SAME FUJIFILM CORPORATION (JP) 2015-10-01 US disclosed
US-20150166564-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS Array BioPharama Inc. (US) 2015-06-18 US disclosed
WO-2014078325-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed
US-20130289231-A1 Catalyst Composition with Alkoxyalkyl Ester Internal Electron Donor and Polymer from Same W. R. GRACE & CO.-CONN. 2013-10-31 US disclosed
US-20130225398-A1 Process for Producing Procatalyst Composition with Alkoxyalkyl Ester Internal Electron Donor and Product DOW GLOBAL TECHNOLOGIES LLC (US) 2013-08-29 US disclosed
WO-2013056060-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-18 WO disclosed
US-20120157642-A1 Catalyst Composition with Alkoxyalkyl Ester Internal Electron Donor and Polymer from Same W.R. GRACE & CO.-CONN. 2012-06-21 US disclosed
US-20120157295-A1 Process for Producing Procatalyst Composition with Alkoxyalkyl Ester Internal Electron Donor and Product W. R. GRACE & CO. - CONN. 2012-06-21 US disclosed
US-8138272-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-03-20 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 (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-20150166564-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK TDP1 55/4885TSHR 190/4885RAB9A 669/4885
US-20170217936-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK TDP1 55/4885TSHR 190/4885RAB9A 669/4885

“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.