SCHEMBL3754080

SCHEMBL3754080

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
LMNA P02545 1/20 0.38
PPM1B O75688 1/20 0.35
PTPN1 P18031 1/20 0.35
PPP1CC P36873 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL3641631 1.00 ALDH1A1 (0.46) ALDH1A1LMNAPPM1BPTPN1PPP1CC
SCHEMBL3747168 1.00 ALDH1A1 (0.46) ALDH1A1LMNAPPM1BPTPN1PPP1CC
SCHEMBL4608110 0.83 ALDH1A1 (0.42) ALDH1A1LMNAPPM1BPTPN1PPP1CC
SCHEMBL4608105 0.83 ALDH1A1 (0.42) ALDH1A1LMNAPPM1BPTPN1PPP1CC
SCHEMBL4606370 0.83 ALDH1A1 (0.42) ALDH1A1LMNAPPM1BPTPN1PPP1CC
SCHEMBL812446 0.83 ALDH1A1 (0.42) ALDH1A1LMNAPPM1BPTPN1PPP1CC
SCHEMBL4606378 0.83 ALDH1A1 (0.42) ALDH1A1LMNAPPM1BPTPN1PPP1CC
SCHEMBL3744024 0.81 ALDH1A1 (0.33) ALDH1A1PPM1BPTPN1PPP1CCMAPT
SCHEMBL3639450 0.81 ALDH1A1 (0.33) ALDH1A1PPM1BPTPN1PPP1CCMAPT
SCHEMBL3751050 0.81 ALDH1A1 (0.33) ALDH1A1PPM1BPTPN1PPP1CCMAPT

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 99/4885LMNA 1886/4885PPM1B 4002/4885

“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.