SCHEMBL18089046

SCHEMBL18089046

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
MAPT P10636 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
TSHR P16473 2/20 0.57
CYP2C19 P33261 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TRPV1 Q8NER1 1/20 0.48
POLB P06746 1/20 0.44
TRPA1 O75762 2/20 0.41
PNLIP P16233 2/20 0.37
PTPN1 P18031 3/20 0.36
PTPN2 P17706 2/20 0.36
CYP19A1 P11511 1/20 0.34
IDO1 P14902 1/20 0.33
UGT2B7 P16662 4/20 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
SCHEMBL15220009 1.00 ALDH1A1 (0.57) ALDH1A1MAPTCYP3A4CYP2C9TSHR
SCHEMBL9549996 1.00 ALDH1A1 (0.57) ALDH1A1MAPTCYP3A4CYP2C9TSHR
SCHEMBL541382 1.00 ALDH1A1 (0.57) ALDH1A1MAPTCYP3A4CYP2C9TSHR
SCHEMBL9550004 1.00 ALDH1A1 (0.57) ALDH1A1MAPTCYP3A4CYP2C9TSHR
SCHEMBL8731628 1.00 ALDH1A1 (0.57) ALDH1A1MAPTCYP3A4CYP2C9TSHR
SCHEMBL25669585 1.00 ALDH1A1 (0.57) ALDH1A1MAPTCYP3A4CYP2C9TSHR
SCHEMBL18949253 0.87 ALDH1A1 (0.46) ALDH1A1MAPTCYP3A4CYP2C9TSHR
SCHEMBL9623433 0.86 ALDH1A1 (0.62) ALDH1A1MAPTCYP3A4CYP2C9TSHR
SCHEMBL9623437 0.86 ALDH1A1 (0.62) ALDH1A1MAPTCYP3A4CYP2C9TSHR
SCHEMBL8733677 0.86 MAPT (0.44) ALDH1A1MAPTCYP3A4CYP2C9TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633314-B2 Method for the conversion of Abienol to Sclarediol GIVAUDAN S.A. (CH) 2020-04-28 US disclosed
EP-3271343-B1 METHOD FOR THE CONVERSION OF ABIENOL TO SCLAREDIOL GIVAUDAN SA (CH) 2019-10-09 EP disclosed
US-20180072644-A1 Method for the Conversion of Abienol to Sclarediol GIVAUDAN S.A. (CH) 2018-03-15 US disclosed
US-20180072644-A1 Method for the Conversion of Abienol to Sclarediol GIVAUDAN S.A. (CH) 2018-03-15 US disclosed
WO-2016146769-A1 METHOD FOR THE CONVERSION OF ABIENOL TO SCLAREDIOL GIVAUDAN SA (CH) 2016-09-22 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 (2 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 2371/4885MAPT 4821/4885CYP3A4 358/4885
US-10633314-B2 Method for the conversion of Abienol to Sclarediol CYP51A1, CYP2A13, HSD17B13 ALDH1A1 2371/4885MAPT 4821/4885CYP3A4 358/4885

“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.