SCHEMBL4964239

SCHEMBL4964239

OCCC[C@H](O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.44
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.42
EPHX1 P07099 1/20 0.41
CSNK1E P49674 1/20 0.41
TSHR P16473 1/20 0.41
FOLH1 Q04609 1/20 0.41
CCR3 P51677 1/20 0.41
SRR Q9GZT4 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39

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
SCHEMBL875439 1.00 TRPA1 (0.44) TRPA1TDP1CYP1A2EPHX1CSNK1E
SCHEMBL4964246 1.00 TRPA1 (0.44) TRPA1TDP1CYP1A2EPHX1CSNK1E
SCHEMBL1598160 0.94 CSNK1E (0.44) TRPA1TDP1CYP1A2EPHX1CSNK1E
SCHEMBL11297877 0.92 CSNK1E (0.46) TRPA1TDP1CYP1A2EPHX1CSNK1E
SCHEMBL27622402 0.92 CSNK1E (0.46) TRPA1TDP1CYP1A2EPHX1CSNK1E
SCHEMBL27890776 0.92 CSNK1E (0.46) TRPA1TDP1CYP1A2EPHX1CSNK1E
SCHEMBL17075353 0.92 CSNK1E (0.46) TRPA1TDP1CYP1A2EPHX1CSNK1E
SCHEMBL5097040 0.89 TRPA1 (0.48) TRPA1CYP1A2EPHX1CSNK1EFOLH1
SCHEMBL8425091 0.87 TRPA1 (0.47) TRPA1TDP1CYP1A2EPHX1TSHR
SCHEMBL5868422 0.87 TRPA1 (0.47) TRPA1TDP1CYP1A2EPHX1TSHR

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
EP-1735324-B1 PREPARATION OF P-CHIROGENIC PHOSPHOLANES AND THEIR USE IN ASYMETRIC SYNTHESIS WARNER LAMBERT CO (US) 2008-08-20 EP disclosed
US-7390931-B2 Preparation of P-chirogenic phospholanes and their use in asymmetric synthesis PFIZER INC. (US) 2008-06-24 US disclosed
EP-1735324-A1 PREPARATION OF P-CHIROGENIC PHOSPHOLANES AND THEIR USE IN ASYMETRIC SYNTHESIS Warner-Lambert Company LLC (US) 2006-12-27 EP disclosed
WO-2005095424-A1 PREPARATION OF P-CHIROGENIC PHOSPHOLANES AND THEIR USE IN ASYMETRIC SYNTHESIS WARNER-LAMBERT COMPANY LLC (US) 2005-10-13 WO disclosed
US-20050222464-A1 Preparation of P-chirogenic phospholanes and their use in asymmetric synthesis HOGE GARRETT S II 2005-10-06 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 (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-20050222464-A1 Preparation of P-chirogenic phospholanes and their use in asymmetric synthesis PYGB, PNKP, GAP43 TRPA1 2882/4885TDP1 2955/4885CYP1A2 1265/4885

“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.