SCHEMBL4815840

SCHEMBL4815840

OCCc1ccc2c(c1)CCC2O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.41
ESR2 Q92731 6/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX5 P09917 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
BACE1 P56817 1/20 0.40
PGR P06401 1/20 0.39
GFRA3 O60609 1/20 0.38
RET P07949 1/20 0.38
OPRD1 P41143 1/20 0.35
CA2 P00918 1/20 0.35
GRIN2B Q13224 4/20 0.35
GRIN1 Q05586 1/20 0.35
BRD4 O60885 1/20 0.35
CCL2 P13500 1/20 0.35

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
SCHEMBL4819460 0.86 CHRM4 (0.41) ESR1ESR2KDM4EALDH1A1ALOX5
SCHEMBL11967054 0.85 HTR2C (0.43) ESR1ESR2PGRGFRA3RET
SCHEMBL16256876 0.81 DRD2 (0.45) ESR1ESR2PGRGFRA3RET
SCHEMBL4345322 0.79 ESR1 (0.45) ESR1ESR2PGROPRD1GRIN2B
SCHEMBL1346504 0.78 BACE1 (0.39) ESR1ESR2KDM4EALDH1A1ALOX5
SCHEMBL9492406 0.78 OPRD1 (0.47) ESR1ESR2OPRD1GRIN2BGRIN1
SCHEMBL6705803 0.77 TAAR1 (0.38) KDM4EALDH1A1MAPTGFRA3RET
SCHEMBL9455977 0.77 XDH (0.43) ESR1ESR2KDM4EALDH1A1ALOX5
SCHEMBL9456252 0.77 XDH (0.43) ESR1ESR2KDM4EALDH1A1ALOX5
SCHEMBL11954964 0.77 PGR (0.40) ESR1ESR2PGRGFRA3RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 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 (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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 ESR1 3300/4885ESR2 2618/4885KDM4E 1449/4885

“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.