SCHEMBL344926

SCHEMBL344926

CCCc1ccc2c(C(=O)OC)cccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.53
NCEH1 Q6PIU2 2/20 0.47
PDE4B Q07343 1/20 0.44
SCN9A Q15858 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 2/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL345007 0.92 DHODH (0.54) DHODHPDE4BSCN9AKDM4EALDH1A1
SCHEMBL343997 0.91 DHODH (0.56) DHODHCYP4F2CYP4A11MAPK8
SCHEMBL345117 0.90 DHODH (0.50) DHODHPDE4BSCN9AKDM4EALDH1A1
SCHEMBL345277 0.89 DHODH (0.55) DHODHCYP4F2CYP4A11
SCHEMBL344375 0.89 DHODH (0.55) DHODHCYP4F2CYP4A11
SCHEMBL27592569 0.85 CA12 (0.53) DHODHPDE4BSCN9AKDM4EALDH1A1
SCHEMBL275086 0.84 DHODH (0.48) DHODHPDE4BSCN9AKDM4EALDH1A1
SCHEMBL343405 0.84 PTPN1 (0.57) DHODHNCEH1KDM4ESORT1
SCHEMBL273388 0.83 AKR1B1 (0.54) DHODHPDE4BSCN9AKDM4EALDH1A1
SCHEMBL272907 0.82 DHODH (0.47) DHODHPDE4BSCN9AKDM4EALDH1A1

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 1113/4885NCEH1 146/4885PDE4B 18/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 DHODH 1113/4885NCEH1 146/4885PDE4B 18/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 DHODH 1113/4885NCEH1 146/4885PDE4B 18/4885

“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.