SCHEMBL345007

SCHEMBL345007

CCCCc1ccc2c(C(=O)OC)cccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.54
TRPV1 Q8NER1 2/20 0.46
MAPK8 P45983 1/20 0.45
MDH1 P40925 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
CNR2 P34972 1/20 0.43
PDE4B Q07343 1/20 0.42
SCN9A Q15858 1/20 0.42
MAPT P10636 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
TUBB4A P04350 1/20 0.42
CYP1A2 P05177 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
CYP2D6 P10635 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
SCHEMBL343997 0.96 DHODH (0.56) DHODHTRPV1MAPK8MDH1CYP4F2
SCHEMBL344375 0.95 DHODH (0.55) DHODHTRPV1MDH1CYP4F2CYP4A11
SCHEMBL345277 0.95 DHODH (0.55) DHODHTRPV1MDH1CYP4F2CYP4A11
SCHEMBL344926 0.92 DHODH (0.53) DHODHMAPK8CYP4F2CYP4A11PDE4B
SCHEMBL345117 0.87 DHODH (0.50) DHODHMAPK8PDE4BSCN9AMAPT
SCHEMBL343983 0.85 PTPN1 (0.54) DHODHTRPV1CNR2PPARGPPARA
SCHEMBL27592569 0.83 CA12 (0.53) DHODHMAPK8PDE4BSCN9AMAPT
SCHEMBL275086 0.82 DHODH (0.48) DHODHMAPK8CYP4F2CYP4A11PDE4B
SCHEMBL344105 0.81 KAT8 (0.57) DHODHPPARGPPARA
SCHEMBL273388 0.81 AKR1B1 (0.54) DHODHMAPK8PDE4BSCN9AKDM4E

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 DHODH 1113/4885TRPV1 679/4885MAPK8 957/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 DHODH 1113/4885TRPV1 679/4885MAPK8 957/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 DHODH 1113/4885TRPV1 679/4885MAPK8 957/4885

“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.