SCHEMBL4293105

SCHEMBL4293105

CC(C)N1CCOc2cc(C(=O)O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.44
RARB P10826 2/20 0.44
RARG P13631 2/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 1/20 0.44
CHRNA7 P36544 1/20 0.41
ATM Q13315 1/20 0.40
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 3/20 0.38
POLB P06746 2/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7662825 0.83 CHRNA7 (0.37) RARARARBRARGALDH1A1MAPK1
SCHEMBL7662818 0.83 CHRNA7 (0.37) RARARARBRARGALDH1A1MAPK1
SCHEMBL6298518 0.83 RARA (0.45) RARARARBRARGCHRNA7
SCHEMBL2064097 0.81 PTGER3 (0.50) ALDH1A1MAPK1ATMHSD17B10HPGD
SCHEMBL29650191 0.81 PTGER3 (0.50) ALDH1A1MAPK1ATMHSD17B10HPGD
SCHEMBL14376017 0.77 PIK3CB (0.38) ALDH1A1GAAHSD17B10TSHRTDP1
SCHEMBL4278028 0.77 PTGER3 (0.45) ALDH1A1MAPK1ATMKDM4EGAA
SCHEMBL7669724 0.77 RXRA (0.37) RARARARBRARGALDH1A1CHRNA7
SCHEMBL20270381 0.76 MEN1 (0.44) ALDH1A1MAPK1HPGDPOLBTSHR
SCHEMBL23903579 0.76 PIK3CA (0.40) POLBL3MBTL1

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
EP-1999131-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-23 EP claimed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 US claimed
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
EP-1999131-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-23 EP disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 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-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS MAP3K19, CDK2, MAP3K1 RARA 1233/4885RARB 1216/4885RARG 1911/4885

“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.