SCHEMBL345197

SCHEMBL345197

CCCCCCc1cnc2c(C(=O)OC)cccc2c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.55
RIPK1 Q13546 1/20 0.46
TRPV1 Q8NER1 5/20 0.43
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PSMD14 O00487 1/20 0.43
MDH1 P40925 1/20 0.42
FAAH O00519 2/20 0.41
RARB P10826 1/20 0.41
CES1 P23141 1/20 0.41
SMPD1 P17405 1/20 0.40

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
SCHEMBL344103 0.95 PARP1 (0.57) PARP1RIPK1TRPV1MAPTSMN1; SMN2
SCHEMBL345367 0.86 PARP1 (0.55) PARP1PPARGPPARAMAPTSMN1; SMN2
SCHEMBL9124270 0.82 PARP1 (0.59) PARP1PSMD14FAAH
SCHEMBL344417 0.81 PARP1 (0.58) PARP1PPARAMAPTRARB
SCHEMBL345277 0.79 DHODH (0.55) TRPV1PPARGPPARAMDH1
SCHEMBL344375 0.79 DHODH (0.55) TRPV1PPARGPPARAMDH1
SCHEMBL7043349 0.78 KDM4E (0.53) PARP1TRPV1MAPTSMN1; SMN2
SCHEMBL343997 0.78 DHODH (0.56) TRPV1PPARGPPARAMDH1
SCHEMBL344536 0.77 PPARA (0.55) TRPV1PPARGPPARASMN1; SMN2MDH1
SCHEMBL15427587 0.76 PARP1 (0.43) PARP1PSMD14FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714238-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2017-07-25 US disclosed
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2016-11-24 US disclosed
US-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2015-06-25 US disclosed
US-8633220-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2014-01-21 US disclosed
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-19 US disclosed
WO-2012003145-A2 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-05 WO 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 (3 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-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PARP1 1380/4885RIPK1 4744/4885TRPV1 679/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PARP1 1380/4885RIPK1 4744/4885TRPV1 679/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PARP1 1380/4885RIPK1 4744/4885TRPV1 679/4885

“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.