SCHEMBL7042818

SCHEMBL7042818

O=[N+]([O-])c1cc([C@@H](O)CN(Cc2ccccc2)[C@H](CO)Cc2ccc(OCc3ccccc3)c(Cl)c2)ccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
POLB P06746 1/20 0.39
CTSV O60911 4/20 0.39
CTSL P07711 4/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
PDCD1 Q15116 5/20 0.36
CD274 Q9NZQ7 5/20 0.36
GAA P10253 1/20 0.36
ABCB1 P08183 1/20 0.36
PIN1 Q13526 1/20 0.35

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
SCHEMBL7039596 0.92 CTSV (0.43) FFAR1POLBCTSVCTSLMAPT
SCHEMBL6479308 0.91 CTSV (0.40) FFAR1POLBCTSVCTSLPDCD1
SCHEMBL6479313 0.91 CTSV (0.40) FFAR1POLBCTSVCTSLPDCD1
SCHEMBL7039802 0.90 MEN1 (0.41) FFAR1POLBCTSVCTSLNPC1
SCHEMBL7036429 0.88 KMT2A (0.41) FFAR1POLBCTSVCTSLNPC1
SCHEMBL6541035 0.88 POLB (0.44) FFAR1POLBCTSVCTSLPDCD1
SCHEMBL7686827 0.88 CTSV (0.46) FFAR1POLBCTSVCTSLMAPT
SCHEMBL7036432 0.88 KMT2A (0.41) FFAR1POLBCTSVCTSLNPC1
SCHEMBL6541029 0.88 POLB (0.44) FFAR1POLBCTSVCTSLPDCD1
SCHEMBL7037727 0.86 GAA (0.43) FFAR1POLBCTSVCTSLNPC1

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 FFAR1 1522/4885POLB 1141/4885CTSV 4510/4885

“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.