SCHEMBL343934

SCHEMBL343934

CCCCCOc1ccc2c(C(=O)Nc3cccc(OCC(=O)O)c3)cccc2c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
PLA2G4B P0C869 3/20 0.55
NR1H4 Q96RI1 6/20 0.55
MAPK1 P28482 1/20 0.53
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
KDR P35968 2/20 0.48
FAAH O00519 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL15427588 0.91 THRB (0.55) THRBNR1H4LMNAHTTKDR
SCHEMBL15427384 0.91 THRB (0.60) THRBNR1H4LMNAKDRFAAH
SCHEMBL345300 0.89 THRB (0.53) THRBPLA2G4BNR1H4LMNAKDR
SCHEMBL345673 0.88 PPARA (0.58) THRBNR1H4MAPK1PKMHTT
SCHEMBL345013 0.87 PPARA (0.60) THRBPLA2G4BNR1H4MAPK1PKM
SCHEMBL344565 0.87 PPARA (0.60) THRBPLA2G4BNR1H4MAPK1PKM
SCHEMBL343814 0.87 PPARA (0.54) THRBNR1H4MAPK1LMNAPKM
SCHEMBL10031663 0.86 MAPK1 (0.48) THRBPLA2G4BNR1H4MAPK1PKM
SCHEMBL344101 0.86 MAPK1 (0.48) THRBPLA2G4BNR1H4MAPK1PKM
SCHEMBL1696954 0.85 MAPK1 (0.59) MAPK1LMNAPKMHTTKDR

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 15 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-9714238-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2017-07-25 US disclosed
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-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2016-11-24 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-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2015-06-25 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-8633220-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2014-01-21 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
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-19 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 THRB 3768/4885PLA2G4B 701/4885NR1H4 273/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 THRB 3768/4885PLA2G4B 701/4885NR1H4 273/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 THRB 3768/4885PLA2G4B 701/4885NR1H4 273/4885

“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.