SCHEMBL7044169

SCHEMBL7044169

OCC(Cc1ccc(O)c(Cl)c1)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.52
▸ HSD17B2 P37059 3/20 0.52
▸ CA1 P00915 2/20 0.52
▸ PDCD1 Q15116 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ OPRK1 P41145 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL7044167 1.00 CA2 (0.52) CA2HSD17B2CA1PDCD1CD274
SCHEMBL11695590 0.81 PDCD1 (0.43) PDCD1CD274POLBGAAATM
SCHEMBL7041284 0.80 SIGMAR1 (0.55) POLBSIGMAR1
SCHEMBL1823141 0.80 SIGMAR1 (0.55) POLBSIGMAR1
SCHEMBL23023068 0.80 SIGMAR1 (0.55) POLBSIGMAR1
Bromide SCHEMBL11696799 0.80 PDCD1 (0.42) PDCD1CD274POLBGAAATM
SCHEMBL6487410 0.79 CNR1 (0.56) OPRK1SIGMAR1
SCHEMBL6487403 0.79 CNR1 (0.56) OPRK1SIGMAR1
SCHEMBL11696442 0.77 ALOX15 (0.54) GAAATMSIGMAR1
Bromide SCHEMBL11693374 0.77 SIGMAR1 (0.41) POLBSIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073846-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-04-17 — — US disclosed
EP-1292564-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-19 — — EP disclosed
WO-2001062705-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-30 — — 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 (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-20030073846-A1 Aminoalcohol derivatives XDH, ADH1A, ADRB1 CA2 919/4885HSD17B2 77/4885CA1 2501/4885

“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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