SCHEMBL345117

SCHEMBL345117

CCc1ccc2c(C(=O)OC)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.50
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PDE4B Q07343 1/20 0.46
SCN9A Q15858 1/20 0.46
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
MAPT P10636 5/20 0.44
PARP1 P09874 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL344926 0.90 DHODH (0.53) DHODHKDM4EALDH1A1HPGDNPSR1
SCHEMBL27592569 0.89 CA12 (0.53) DHODHKDM4EALDH1A1HPGDNPSR1
SCHEMBL275086 0.88 DHODH (0.48) DHODHKDM4EALDH1A1HPGDNPSR1
SCHEMBL345007 0.87 DHODH (0.54) DHODHKDM4EALDH1A1HPGDNPSR1
SCHEMBL273388 0.87 AKR1B1 (0.54) DHODHKDM4EALDH1A1HPGDNPSR1
SCHEMBL343997 0.86 DHODH (0.56) DHODHMAPK8
SCHEMBL272907 0.85 DHODH (0.47) DHODHKDM4EALDH1A1HPGDNPSR1
SCHEMBL344375 0.85 DHODH (0.55) DHODH
SCHEMBL345277 0.85 DHODH (0.55) DHODH
SCHEMBL345159 0.84 PTPN1 (0.60) DHODHKDM4EALDH1A1HPGDCYP1A2

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 1113/4885KDM4E 2429/4885ALDH1A1 753/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 DHODH 1113/4885KDM4E 2429/4885ALDH1A1 753/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 DHODH 1113/4885KDM4E 2429/4885ALDH1A1 753/4885

“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.