SCHEMBL9883111

SCHEMBL9883111

C[C@@H]1[C@@]2(C)CCCC(C)(C)C2CC[C@@]1(C)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP19A1 P11511 2/20 0.43
PTPN1 P18031 3/20 0.40
IDO1 P14902 2/20 0.38
PTPN2 P17706 1/20 0.36
ENTPD5 O75356 1/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
PIK3CB P42338 1/20 0.35
UGT2B7 P16662 2/20 0.34
PLA2G2A P14555 1/20 0.34
TRPA1 O75762 1/20 0.34

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
SCHEMBL12794160 1.00 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL12794187 1.00 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL12794182 1.00 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL2974009 1.00 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL13206590 1.00 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL13246091 1.00 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL385019 0.77 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9880760 0.77 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL10101191 0.77 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL10891896 0.77 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657328-B1 Fragrance composition KAO CORP (JP) 2014-11-26 EP disclosed
EP-1921129-B1 PERFUME COMPOSITION KAO CORP (JP) 2014-03-12 EP disclosed
EP-1897932-B1 FRAGRANCE COMPOSITION KAO CORP (JP) 2014-03-05 EP disclosed
EP-2657328-A1 Fragrance composition KAO CORPORATION (JP) 2013-10-30 EP disclosed
US-20120129925-A1 SHIP 1 MODULATORS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-05-24 US disclosed
US-7902142-B2 Fragrance composition KAO CORPORATION (JP) 2011-03-08 US disclosed
US-7902142-B2 Fragrance composition KAO CORPORATION (JP) 2011-03-08 US disclosed
US-7786331-B2 Fragrance composition KAO CORPORATION (JP) 2010-08-31 US disclosed
US-7786331-B2 Fragrance composition KAO CORPORATION (JP) 2010-08-31 US disclosed
US-7648956-B2 Fragrance composition KAO CORPORATION (JP) 2010-01-19 US disclosed
US-7648956-B2 Fragrance composition KAO CORPORATION (JP) 2010-01-19 US disclosed
US-20100010275-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2010-01-14 US disclosed
US-20100010275-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2010-01-14 US disclosed
US-20090123404-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2009-05-14 US disclosed
US-20090123404-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2009-05-14 US disclosed
US-20090075859-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2009-03-19 US disclosed
US-20090075859-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2009-03-19 US disclosed
EP-1921129-A1 PERFUME COMPOSITION Kao Corporation (JP) 2008-05-14 EP disclosed
EP-1897932-A1 FRAGRANCE COMPOSITION Kao Corporation (JP) 2008-03-12 EP 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 (4 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-20090075859-A1 FRAGRANCE COMPOSITION FAAH, NAT1, NAA40 ALDH1A1 15/4885CYP3A4 1610/4885CYP2C9 3091/4885
US-20090123404-A1 FRAGRANCE COMPOSITION NAA40, FAAH, TAS1R1 ALDH1A1 44/4885CYP3A4 1135/4885CYP2C9 981/4885
US-20100010275-A1 FRAGRANCE COMPOSITION FAAH, NAT1, NAA40 ALDH1A1 15/4885CYP3A4 1610/4885CYP2C9 3091/4885
US-20120129925-A1 SHIP 1 MODULATORS PPP1R10, SACM1L, PPP1R1B ALDH1A1 1182/4885CYP3A4 2887/4885CYP2C9 3589/4885

“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.