SCHEMBL3850167

SCHEMBL3850167

CCCCCCOCc1ccc2c(c1)OOC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 2/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PLA2G4B P0C869 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR5A1 Q13285 1/20 0.33
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
TACR2 P21452 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 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
SCHEMBL3857285 0.94 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHRNPC1RAB9A
SCHEMBL3856257 0.89 TSHR (0.33) CYP3A4TSHRKDM4EHSD17B10
SCHEMBL11696259 0.81 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRHPGDTDP1
SCHEMBL10071546 0.77 NPC1 (0.38) ALDH1A1CYP3A4NPC1RAB9ATP53
SCHEMBL10071541 0.77 NPC1 (0.38) ALDH1A1CYP3A4NPC1RAB9ATP53
SCHEMBL3848824 0.76 CYP3A4 (0.52) ALDH1A1CYP3A4TSHRHPGDKMT2A
SCHEMBL3858733 0.76 CYP3A4 (0.52) ALDH1A1CYP3A4TSHRHPGDKMT2A
SCHEMBL6685337 0.76 CYP3A4 (0.52) ALDH1A1CYP3A4TSHRHPGDKMT2A
SCHEMBL10071540 0.75 MLNR (0.37) CYP3A4NPC1RAB9ATP53HPGD
SCHEMBL3899771 0.74 CYP3A4 (0.54) ALDH1A1CYP3A4TSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386470-A1 COMPOSITION FOR DYEING KERATIN FIBERS L'OREAL (FR) 2018-10-17 EP disclosed
US-20180256474-A1 COMPOSITION FOR DYEING KERATIN FIBERS L'OREAL (FR) 2018-09-13 US disclosed
WO-2017094866-A1 COMPOSITION FOR DYEING KERATIN FIBERS L'OREAL (FR) 2017-06-08 WO disclosed
US-7576125-B2 Melanogenesis inhibitor and skin preparation containing the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-08-18 US disclosed
US-20060088485-A1 Melanogenesis inhibitor and skin preparation containing the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-04-27 US 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 (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-20060088485-A1 Melanogenesis inhibitor and skin preparation containing the same MC1R, TYR, MITF ALDH1A1 6/4885CYP3A4 2316/4885TSHR 2223/4885
US-20180256474-A1 COMPOSITION FOR DYEING KERATIN FIBERS KRT18, DSG1, DSC1 ALDH1A1 689/4885CYP3A4 1268/4885TSHR 4741/4885

“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.