SCHEMBL15544729

SCHEMBL15544729

O=C1CCc2c1cccc2-c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.45
PARP11 Q9NR21 2/20 0.45
GRM5 P41594 4/20 0.41
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
CYP19A1 P11511 3/20 0.40
GRM1 Q13255 1/20 0.40
CDC7 O00311 2/20 0.39
DBF4 Q9UBU7 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK10 P53779 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3CD O00329 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP11B1 P15538 1/20 0.37

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
SCHEMBL7179331 0.82 PARP10 (0.58) PARP10PARP11ALDH1A1NPC1MAPT
SCHEMBL15543967 0.78 HTR7 (0.43) PARP10PARP11GRM5GRM1ALDH1A1
SCHEMBL6206012 0.77 KDR (0.47) PARP10PARP11CYP11B1CYP11B2
SCHEMBL16406400 0.76 PARP10 (0.50) PARP10PARP11ALDH1A1NPC1MAPT
SCHEMBL2385433 0.74 PARP1 (0.44) PARP10PARP11ALDH1A1NPC1TP53
SCHEMBL12306712 0.74 MEN1 (0.43) PARP10PARP11ALDH1A1MAPTSMN1; SMN2
SCHEMBL4611498 0.73 ADRA1A (0.48) PARP10PARP11GRM5ALDH1A1NPC1
SCHEMBL29845432 0.73 CLK4 (0.57) PARP10PARP11PKN2CDC7PIK3CD
SCHEMBL23273185 0.72 PARP10 (0.54) PARP10PARP11
SCHEMBL7587251 0.72 PARP10 (0.54) PARP10PARP11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493434-B2 Substituted indenes as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2016-11-15 US disclosed
US-9493434-B2 Substituted indenes as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2016-11-15 US disclosed
US-9493434-B2 Substituted indenes as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2016-11-15 US disclosed
EP-2870145-B1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2016-09-21 EP disclosed
EP-2870145-B1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2016-09-21 EP disclosed
US-20150158831-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE PHARMACEUTICALS, S.A. (ES) 2015-06-11 US disclosed
US-20150158831-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE PHARMACEUTICALS, S.A. (ES) 2015-06-11 US disclosed
US-20150158831-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE PHARMACEUTICALS, S.A. (ES) 2015-06-11 US disclosed
EP-2870145-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios Del. Dr. Esteve, S.A. (ES) 2015-05-13 EP disclosed
WO-2014006071-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2014-01-09 WO disclosed
WO-2014006071-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2014-01-09 WO disclosed
EP-2682391-A1 Indene derivatives, their preparation and use as medicaments Laboratorios Del. Dr. Esteve, S.A. (ES) 2014-01-08 EP disclosed
EP-2682391-A1 Indene derivatives, their preparation and use as medicaments Laboratorios Del. Dr. Esteve, S.A. (ES) 2014-01-08 EP 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 (1 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-20150158831-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS SIGMAR1, TMEM97, OPRK1 PARP10 2288/4885PARP11 2543/4885GRM5 393/4885

“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.