SCHEMBL3858733

SCHEMBL3858733

CCCCCCCCCCCCOCc1ccc2c(c1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
TSHR P16473 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TRPV1 Q8NER1 1/20 0.51
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
GBA1 P04062 1/20 0.45
UGCG Q16739 1/20 0.45
GBA2 Q9HCG7 1/20 0.45
HSD17B10 Q99714 2/20 0.44
TAAR1 Q96RJ0 3/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
CALM1 P0DP23 1/20 0.43

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
SCHEMBL3848824 1.00 CYP3A4 (0.52) CYP3A4TSHRALDH1A1TRPV1HPGD
SCHEMBL6685337 1.00 CYP3A4 (0.52) CYP3A4TSHRALDH1A1TRPV1HPGD
SCHEMBL3899771 0.98 CYP3A4 (0.54) CYP3A4TSHRALDH1A1TRPV1HPGD
SCHEMBL11780735 0.96 CYP3A4 (0.58) CYP3A4TSHRALDH1A1TRPV1HPGD
SCHEMBL11773965 0.96 CYP3A4 (0.58) CYP3A4TSHRALDH1A1TRPV1HPGD
SCHEMBL11777224 0.96 CYP3A4 (0.58) CYP3A4TSHRALDH1A1TRPV1HPGD
SCHEMBL2553632 0.94 CYP3A4 (0.58) CYP3A4TSHRALDH1A1TRPV1HPGD
SCHEMBL31012427 0.94 CYP3A4 (0.58) CYP3A4TSHRALDH1A1TRPV1HPGD
SCHEMBL11774957 0.93 CYP3A4 (0.51) CYP3A4TSHRALDH1A1TRPV1HPGD
SCHEMBL11773614 0.93 CYP3A4 (0.51) CYP3A4TSHRALDH1A1TRPV1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101390852-B Melanogenesis inhibitor and skin preparation containing the same TAKASAGO PERFUMERY CO LTD 2010-12-08 CN disclosed
CN-1747711-B Melanogenesis inhibitor and skin preparation containing the same TAKASAGO PERFUMERY CO LTD 2010-04-28 CN disclosed
US-7576125-B2 Melanogenesis inhibitor and skin preparation containing the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-08-18 US disclosed
CN-101390852-A Melanogenesis inhibitor and skin preparation containing the same TAKASAGO PERFUMERY CO LTD (JP) 2009-03-25 CN disclosed
US-20060088485-A1 Melanogenesis inhibitor and skin preparation containing the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-04-27 US disclosed
CN-1747711-A Melanogenesis inhibitor and skin preparation containing the same TAKASAGO PERFUMERY CO LTD (JP) 2006-03-15 CN disclosed
WO-2004071481-A1 MELANOGENESIS INHIBITOR AND SKIN PREPARATION CONTAINING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-08-26 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-20060088485-A1 Melanogenesis inhibitor and skin preparation containing the same MC1R, TYR, MITF CYP3A4 2316/4885TSHR 2223/4885ALDH1A1 6/4885

“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.