SCHEMBL4278028

SCHEMBL4278028

CCN1CCOc2cc(C(=O)O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 3/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
HPGD P15428 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
AR P10275 1/20 0.41
KMT2A Q03164 2/20 0.40
TSHR P16473 3/20 0.40
CTNNB1 P35222 1/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL18593241 0.89 KDM4E (0.50) PTGER3MAPK1ATMNPC1RAB9A
SCHEMBL4283497 0.84 ALDH1A1 (0.43) ALDH1A1MAPK1NPC1RAB9AHPGD
SCHEMBL2064097 0.81 PTGER3 (0.50) PTGER3ALDH1A1MAPK1ATMHPGD
SCHEMBL29650191 0.81 PTGER3 (0.50) PTGER3ALDH1A1MAPK1ATMHPGD
SCHEMBL20116560 0.81 NOS3 (0.42) PTGER3MAPK1ATMNPC1RAB9A
SCHEMBL20660979 0.81 NOS3 (0.42) PTGER3MAPK1ATMNPC1RAB9A
SCHEMBL20660975 0.80 PTGER3 (0.41) PTGER3ALDH1A1ATMNPC1RAB9A
SCHEMBL19859269 0.77 TSHR (0.42) ALDH1A1MAPK1NPC1RAB9AKMT2A
SCHEMBL13180252 0.77 NR3C1 (0.42) PTGER3ALDH1A1NR3C1PGRAR
SCHEMBL4293105 0.77 RARA (0.44) ALDH1A1MAPK1ATMNPC1RAB9A

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 PTGER3 2013/4885ALDH1A1 1863/4885MAPK1 33/4885

“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.