SCHEMBL345378

SCHEMBL345378

CCCCc1cnc2c(C(=O)Nc3cccc(OCC(=O)OC(C)C)c3)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.40
NR3C1 P04150 1/20 0.40
PARP1 P09874 1/20 0.40
MDH1 P40925 1/20 0.40
PLK1 P53350 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
TLR7 Q9NYK1 3/20 0.39
NR1H4 Q96RI1 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
PSEN1 P49768 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
SCHEMBL344995 0.97 PPARA (0.45) THRBALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL343945 0.89 MAPK1 (0.50) THRBTRPV1KMT2ALMNANR3C1
SCHEMBL344536 0.86 PPARA (0.55) THRBTRPV1KMT2AMDH1PLK1
SCHEMBL344104 0.86 THRB (0.44) THRBALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL344805 0.85 PPARA (0.48) THRBALDH1A1TRPV1KMT2ALMNA
SCHEMBL344686 0.83 PPARA (0.47) THRBALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL343323 0.82 PPARA (0.48) THRBTRPV1KMT2AMDH1PLK1
SCHEMBL344807 0.82 PPARA (0.48) THRBTRPV1KMT2AMDH1PLK1
SCHEMBL15416998 0.80 KMT2A (0.45) THRBALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL15417050 0.78 KDR (0.51) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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 THRB 3768/4885ALDH1A1 753/4885CYP1A2 2447/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 THRB 3768/4885ALDH1A1 753/4885CYP1A2 2447/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 THRB 3768/4885ALDH1A1 753/4885CYP1A2 2447/4885

“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.