SCHEMBL344105

SCHEMBL344105

CCCCCc1ccc2c(C(=O)O)cccc2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.57
PPARA Q07869 2/20 0.57
DHODH Q02127 2/20 0.54
PPARG P37231 1/20 0.53
PTPN1 P18031 1/20 0.53
PLK1 P53350 5/20 0.50
TBXAS1 P24557 1/20 0.50
RARB P10826 3/20 0.49
RARA P10276 1/20 0.49
RARG P13631 1/20 0.49
PLK3 Q9H4B4 3/20 0.48
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
HCAR2 Q8TDS4 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
SCHEMBL344535 0.99 PPARA (0.59) KAT8PPARADHODHPPARGPTPN1
SCHEMBL344421 0.99 PPARA (0.59) KAT8PPARADHODHPPARGPTPN1
SCHEMBL343983 0.96 PTPN1 (0.54) KAT8PPARADHODHPPARGPTPN1
SCHEMBL343405 0.90 PTPN1 (0.57) KAT8PPARADHODHPPARGPTPN1
SCHEMBL25223402 0.87 PPARA (0.59) KAT8PPARAPPARGPLK1RARB
SCHEMBL12503256 0.86 DHODH (0.59) KAT8PPARADHODHPPARGPTPN1
SCHEMBL343997 0.85 DHODH (0.56) KAT8PPARADHODHPPARG
SCHEMBL25253653 0.84 KAT8 (0.67) KAT8PPARADHODHPPARGPLK1
SCHEMBL12065209 0.84 THRA (0.55) KAT8PPARADHODHPPARGPLK1
SCHEMBL344375 0.84 DHODH (0.55) KAT8PPARADHODHPPARGPLK1

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 KAT8 2848/4885PPARA 664/4885DHODH 1113/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 KAT8 2848/4885PPARA 664/4885DHODH 1113/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 KAT8 2848/4885PPARA 664/4885DHODH 1113/4885

“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.