SCHEMBL5561126

SCHEMBL5561126

O=[C][C@H](O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.50
▸ ALPI P09923 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ XIAP P98170 1/20 0.47
▸ SLC7A5 Q01650 1/20 0.47
▸ MDM2 Q00987 1/20 0.45
▸ EPHX1 P07099 2/20 0.44
▸ LAP3 P28838 3/20 0.44
▸ CPA1 P15085 2/20 0.44
▸ CPA3 P15088 2/20 0.44
▸ TRPA1 O75762 2/20 0.44
▸ ANPEP P15144 1/20 0.44
▸ FOLH1 Q04609 1/20 0.44
▸ CPB1 P15086 1/20 0.44
▸ CPB2 Q96IY4 1/20 0.44
▸ SRR Q9GZT4 1/20 0.42
▸ ACP3 P15309 1/20 0.42
▸ SLC1A3 P43003 1/20 0.42
▸ SLC1A2 P43004 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
SCHEMBL122781 1.00 CYP1A2 (0.50) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL334432 1.00 CYP1A2 (0.50) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL4272247 0.80 SLC7A5 (0.47) CYP1A2SLC7A5
SCHEMBL17183113 0.80 SLC7A5 (0.47) CYP1A2SLC7A5
SCHEMBL27660875 0.78 DPP4 (0.47) ANPEPACP3
SCHEMBL6337448 0.77 TSHR (0.46) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL6334251 0.77 TSHR (0.46) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL10402447 0.77 CYP1A2 (0.50) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL134502 0.77 MAOB (0.47) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL9793910 0.77 MAOB (0.47) CYP1A2ALPIPKMPTGS1XIAP

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-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 — — US disclosed
US-20050143317-A1 Compounds and methods for treatment of thrombosis EXITHERA PHARMACEUTICALS LLC 2005-06-30 — — US disclosed
EP-0486478-A2 Renin-inhibiting peptides THE UPJOHN COMPANY (US) 1992-05-20 — — EP disclosed
US-4880781-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1989-11-14 — — US disclosed
EP-0173481-A2 Peptides THE UPJOHN COMPANY (US) 1986-03-05 — — EP 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 (1 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-20050143317-A1 Compounds and methods for treatment of thrombosis SERPINC1, F11, F13B CYP1A2 1035/4885ALPI 3632/4885PKM 4420/4885

“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.

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