SCHEMBL17735441

SCHEMBL17735441

O=C1c2ccccc2C(=O)N1CCC(O)c1cccc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.46
HIF1A Q16665 3/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRB3 P13945 1/20 0.44
TSHR P16473 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD1 P21728 1/20 0.44
HTR7 P34969 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD3 P35462 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL13324052 1.00 ALDH1A1 (0.48) ALDH1A1MAPTNPSR1POLBHIF1A
SCHEMBL17775012 0.86 ALDH1A1 (0.48) ALDH1A1MAPTNPSR1POLBTSHR
SCHEMBL9474505 0.85 ALDH1A1 (0.57) ALDH1A1MAPTNPSR1POLBTSHR
SCHEMBL9485569 0.85 ALDH1A1 (0.57) ALDH1A1MAPTNPSR1POLBTSHR
SCHEMBL29236632 0.85 ALDH1A1 (0.57) ALDH1A1MAPTNPSR1POLBTSHR
SCHEMBL17735454 0.84 KMT2A (0.52) ALDH1A1MAPTNPSR1TSHRRAB9A
SCHEMBL7440818 0.80 ALDH1A1 (0.51) ALDH1A1MAPTNPSR1POLBHIF1A
SCHEMBL3199271 0.80 GRM5 (0.49) ALDH1A1MAPTNPSR1RAB9A
SCHEMBL7347524 0.77 ALDH1A1 (0.60) ALDH1A1POLBHTR1ATSHRRAB9A
SCHEMBL17267477 0.76 HDAC7 (0.64) ALDH1A1MAPTNPSR1DRD3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160130193-A1 PRODUCTION METHOD FOR OPTICALLY ACTIVE ALCOHOL COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-12 US disclosed
US-20160130193-A1 PRODUCTION METHOD FOR OPTICALLY ACTIVE ALCOHOL COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-12 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-20160130193-A1 PRODUCTION METHOD FOR OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1C, ADH1A, ADH5 ALDH1A1 82/4885MAPT 3963/4885NPSR1 2688/4885

“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.