SCHEMBL19958385

SCHEMBL19958385

CCC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
TSHR P16473 2/20 0.61
CYP2C19 P33261 2/20 0.61
MEN1 O00255 1/20 0.61
MAPT P10636 1/20 0.61
KMT2A Q03164 1/20 0.61
TRPV1 Q8NER1 1/20 0.54
TRPA1 O75762 2/20 0.41
NR1H4 Q96RI1 2/20 0.37
PTPN1 P18031 4/20 0.35
PTPN2 P17706 1/20 0.35
IDO1 P14902 1/20 0.35
UGT2B7 P16662 2/20 0.34
PLA2G2A P14555 1/20 0.33
CYP19A1 P11511 1/20 0.33
ENTPD5 O75356 1/20 0.33

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
SCHEMBL27017541 1.00 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL8611875 0.87 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3112011 0.87 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3112008 0.87 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL31139943 0.87 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9880617 0.87 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL1105231 0.87 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL12062578 0.87 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL10891896 0.87 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL25666851 0.87 ALDH1A1 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072644-A1 Method for the Conversion of Abienol to Sclarediol GIVAUDAN S.A. (CH) 2018-03-15 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-20180072644-A1 Method for the Conversion of Abienol to Sclarediol CYP51A1, CYP2A13, HSD17B13 ALDH1A1 2371/4885CYP3A4 358/4885CYP2C9 262/4885

“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.