SCHEMBL8534893

SCHEMBL8534893

CC1(C)CCCC2(C)CC3(CCC12)CO3

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
TRPA1 O75762 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL9609157 1.00 ALDH1A1 (0.34) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9609159 1.00 ALDH1A1 (0.34) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9609158 0.76 ALDH1A1 (0.33) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL20205762 0.74 ALDH1A1 (0.34) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL15874511 0.73 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9883158 0.73 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL30885181 0.73 ALDH1A1 (0.33) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL8512259 0.69 ALDH1A1 (0.31) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9715210 0.69 GAA (0.36) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL113255 0.68 CYP3A4 (0.40) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19

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-20240058240-A1 COMPOUNDS AS SELF-TANNING SUBSTANCES AND TANNING COMPOSITIONS THEREOF CHEMCOM S.A. (BE) 2024-02-22 US disclosed
WO-2012069647-A1 NOVEL 1H- SPIRO [NAPHTALENE- 2, 2 ' -OXIRANE] DERIVATIVES GIVAUDAN SA (CH) 2012-05-31 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-20240058240-A1 COMPOUNDS AS SELF-TANNING SUBSTANCES AND TANNING COMPOSITIONS THEREOF TYR, MC1R, MITF ALDH1A1 587/4885CYP3A4 3112/4885CYP2C9 1176/4885

“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.