SCHEMBL3751050

SCHEMBL3751050

COC(=O)[C@H]1[C@H](C)CCCC12CCCC2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
CYP1A2 P05177 1/20 0.31
HIF1A Q16665 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM3 P20309 1/20 0.31
EPHX1 P07099 1/20 0.31
PPM1B O75688 1/20 0.30
PTPN1 P18031 1/20 0.30
PPP1CC P36873 1/20 0.30

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
SCHEMBL3639450 1.00 ALDH1A1 (0.33) ALDH1A1NPSR1MAPTSMN1; SMN2CYP1A2
SCHEMBL3744024 1.00 ALDH1A1 (0.33) ALDH1A1NPSR1MAPTSMN1; SMN2CYP1A2
SCHEMBL3641631 0.81 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2PPM1BPTPN1
SCHEMBL3754080 0.81 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2PPM1BPTPN1
SCHEMBL3747168 0.81 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2PPM1BPTPN1
SCHEMBL3642215 0.79 CYP1A2 (0.35) CYP1A2EPHX1
SCHEMBL3748787 0.79 EPHX1 (0.33) CYP1A2EPHX1
SCHEMBL3642324 0.75 ATM (0.37) NPSR1MAPTSMN1; SMN2CYP1A2HIF1A
SCHEMBL3643311 0.71 HSD17B10 (0.33) CYP1A2
SCHEMBL3750204 0.71

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
EP-2167621-B1 ORGANIC COMPOUNDS AS ODORANTS GIVAUDAN SA (CH) 2017-10-11 EP disclosed
US-9012391-B2 Organic compounds GIVAUDAN SA (CH) 2015-04-21 US disclosed
US-20100292128-A1 Organic Compounds GIVAUDAN SA (CH) 2010-11-18 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-20100292128-A1 Organic Compounds TRPA1, FASN, OR10J3 ALDH1A1 99/4885NPSR1 3243/4885MAPT 2856/4885

“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.