SCHEMBL345367

SCHEMBL345367

CCCCCCc1cnc2c(C(=O)O)cccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.55
RARB P10826 4/20 0.49
PPARA Q07869 3/20 0.49
KAT8 Q9H7Z6 2/20 0.49
PLK1 P53350 5/20 0.46
PPARG P37231 2/20 0.46
RARA P10276 1/20 0.45
RARG P13631 1/20 0.45
NFKB1 P19838 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
THPO P40225 1/20 0.45

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
SCHEMBL344417 0.95 PARP1 (0.58) PARP1RARBPPARAKAT8NFKB1
SCHEMBL345197 0.86 PARP1 (0.55) PARP1RARBPPARAPPARGMAPT
SCHEMBL7043349 0.81 KDM4E (0.53) PARP1KDM4EALDH1A1LMNACYP3A4
SCHEMBL344103 0.81 PARP1 (0.57) PARP1NFKB1KDM4EMEN1ALDH1A1
SCHEMBL15417042 0.80 RARB (0.52) RARBPPARAKAT8PLK1PPARG
SCHEMBL31026575 0.79 MAPT (0.45) RARBKDM4EMEN1ALDH1A1LMNA
SCHEMBL31026590 0.79 MAPT (0.45) RARBKDM4EMEN1ALDH1A1LMNA
SCHEMBL31026577 0.79 MAPT (0.45) RARBKDM4EMEN1ALDH1A1LMNA
SCHEMBL344536 0.78 PPARA (0.55) PPARAPLK1PPARGKDM4EMEN1
SCHEMBL344535 0.77 PPARA (0.59) RARBPPARAKAT8PLK1PPARG

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 1380/4885RARB 2155/4885PPARA 664/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PARP1 1380/4885RARB 2155/4885PPARA 664/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PARP1 1380/4885RARB 2155/4885PPARA 664/4885

“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.