SCHEMBL344375

SCHEMBL344375

CCCCCCCc1ccc2c(C(=O)OC)cccc2c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.55
PPARA Q07869 5/20 0.49
PPARG P37231 4/20 0.49
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
KAT8 Q9H7Z6 2/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
MDH1 P40925 1/20 0.44
PLK1 P53350 1/20 0.43
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL345277 1.00 DHODH (0.55) DHODHPPARAPPARGS1PR1S1PR3
SCHEMBL343997 0.99 DHODH (0.56) DHODHPPARAPPARGS1PR1S1PR3
SCHEMBL345007 0.95 DHODH (0.54) DHODHPPARAPPARGCYP4F2CYP4A11
SCHEMBL344926 0.89 DHODH (0.53) DHODHCYP4F2CYP4A11
SCHEMBL344535 0.85 PPARA (0.59) DHODHPPARAPPARGKAT8PLK1
SCHEMBL344421 0.85 PPARA (0.59) DHODHPPARAPPARGKAT8PLK1
SCHEMBL345117 0.85 DHODH (0.50) DHODH
SCHEMBL344105 0.84 KAT8 (0.57) DHODHPPARAPPARGKAT8PLK1
SCHEMBL12065209 0.82 THRA (0.55) DHODHPPARAPPARGS1PR1S1PR3
SCHEMBL15565045 0.81 MAOA (0.57)

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
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

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 DHODH 1113/4885PPARA 664/4885PPARG 558/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 DHODH 1113/4885PPARA 664/4885PPARG 558/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 DHODH 1113/4885PPARA 664/4885PPARG 558/4885

“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.