SCHEMBL3748787

SCHEMBL3748787

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
CYP1A2 P05177 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 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
SCHEMBL3642215 0.83 CYP1A2 (0.35) EPHX1CYP1A2CA1CA2CA4
SCHEMBL21441575 0.79 UGT2B7 (0.34) EPHX1CYP1A2CA1CA2CA4
SCHEMBL4608224 0.79 UGT2B7 (0.34) EPHX1CYP1A2CA1CA2CA4
SCHEMBL4606059 0.79 UGT2B7 (0.34) EPHX1CYP1A2CA1CA2CA4
SCHEMBL4605622 0.79 UGT2B7 (0.34) EPHX1CYP1A2CA1CA2CA4
SCHEMBL4605915 0.79 UGT2B7 (0.34) EPHX1CYP1A2CA1CA2CA4
SCHEMBL814238 0.79 UGT2B7 (0.34) EPHX1CYP1A2CA1CA2CA4
SCHEMBL3744024 0.79 ALDH1A1 (0.33) EPHX1CYP1A2
SCHEMBL3639450 0.79 ALDH1A1 (0.33) EPHX1CYP1A2
SCHEMBL3751050 0.79 ALDH1A1 (0.33) EPHX1CYP1A2

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 EPHX1 1763/4885CYP1A2 425/4885CA1 4266/4885

“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.