SCHEMBL343983

SCHEMBL343983

CCCCc1ccc2c(C(=O)O)cccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.54
DHODH Q02127 2/20 0.52
KAT8 Q9H7Z6 2/20 0.51
PPARA Q07869 2/20 0.51
TBXAS1 P24557 1/20 0.51
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
METAP2 P50579 1/20 0.48
PPARG P37231 1/20 0.48
TRPV1 Q8NER1 1/20 0.45
RARB P10826 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
EIF4A1 P60842 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
PLK1 P53350 1/20 0.45

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
SCHEMBL344105 0.96 KAT8 (0.57) PTPN1DHODHKAT8PPARATBXAS1
SCHEMBL344535 0.94 PPARA (0.59) PTPN1DHODHKAT8PPARATBXAS1
SCHEMBL344421 0.94 PPARA (0.59) PTPN1DHODHKAT8PPARATBXAS1
SCHEMBL343405 0.91 PTPN1 (0.57) PTPN1DHODHKAT8PPARATBXAS1
SCHEMBL345007 0.85 DHODH (0.54) DHODHPPARAPPARGTRPV1ALDH1A1
SCHEMBL345159 0.84 PTPN1 (0.60) PTPN1DHODHTBXAS1NR4A1NR4A2
SCHEMBL12503256 0.84 DHODH (0.59) PTPN1DHODHKAT8PPARATBXAS1
SCHEMBL25223402 0.83 PPARA (0.59) KAT8PPARAPPARGRARBALDH1A1
SCHEMBL343997 0.81 DHODH (0.56) DHODHKAT8PPARAPPARGTRPV1
SCHEMBL1697021 0.80 PTPN1 (0.51) PTPN1DHODHTBXAS1NR4A1NR4A2

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 PTPN1 3624/4885DHODH 1113/4885KAT8 2848/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PTPN1 3624/4885DHODH 1113/4885KAT8 2848/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 PTPN1 3624/4885DHODH 1113/4885KAT8 2848/4885

“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.