SCHEMBL2065160

SCHEMBL2065160

COc1ccc(C(=O)C(C(=O)c2ccc(C(C)(C)C)cc2)C(C(=O)c2ccccc2)C(=O)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
ALDH1A1 P00352 5/20 0.51
TDP1 Q9NUW8 2/20 0.51
LMNA P02545 1/20 0.51
ALOX15 P16050 1/20 0.51
APEX1 P27695 1/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
TP53 P04637 1/20 0.46
NR1H4 Q96RI1 3/20 0.46

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
SCHEMBL7162385 0.92 MAPT (0.60) MAPTALDH1A1TDP1LMNAALOX15
Avobenzone SCHEMBL6595907 0.86 ALDH1A1 (0.72) MAPTALDH1A1TDP1LMNAALOX15
SCHEMBL2268368 0.82 MAPT (0.47) MAPTALDH1A1TDP1LMNAALOX15
SCHEMBL4197237 0.82 CES2 (0.69) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL10975203 0.80 MAPT (0.51) MAPTALDH1A1TDP1LMNAALOX15
SCHEMBL9353462 0.79 MAPT (0.66) MAPTALDH1A1TDP1LMNAALOX15
SCHEMBL4663944 0.79 MAPT (0.43) MAPTALDH1A1TDP1LMNAALOX15
SCHEMBL15562904 0.77 CES2 (0.62) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL3098687 0.77 MAPT (0.59) MAPTALDH1A1TDP1LMNAALOX15
SCHEMBL7733638 0.76 MAPT (0.66) MAPTALDH1A1TDP1LMNAALOX15

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
EP-1895979-B1 COSMETICS COMPRISING A MODIFIED ORGANOPOLYSILOXANE DOW CORNING TORAY CO LTD (JP) 2014-03-12 EP disclosed
US-8147854-B2 Cosmetics comprising a modified organopolysiloxane DOW CORNING TORAY COMPANY, LTD. (JP) 2012-04-03 US disclosed
US-20100112017-A1 Composition For The Preparation of Cosmetics, Cosmetic, and Method For the Preparation Of Water-Containing Cosmetics DOW CORNING TORAY COMPANY, LTD. (JP) 2010-05-06 US disclosed
US-20100028391-A1 Cosmetics Comprising A Modified Organopolysiloxane DOW CORNING TORAY COMPANY, LTD. (JP) 2010-02-04 US disclosed
WO-2008032883-A2 COMPOSITION FOR THE PREPARATION OF COSMETICS, COSMETIC, AND METHOD FOR THE PREPARATION OF WATER-CONTAINING COSMETICS DOW CORNING TORAY CO., LTD. (JP) 2008-03-20 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-20100028391-A1 Cosmetics Comprising A Modified Organopolysiloxane H1-0, H1-2, CHRM1 MAPT 4481/4885ALDH1A1 1287/4885TDP1 2011/4885
US-20100112017-A1 Composition For The Preparation of Cosmetics, Cosmetic, and Method For the Preparation Of Water-Containing Cosmetics H1-0, DEGS1, MSR1 MAPT 4776/4885ALDH1A1 1448/4885TDP1 3658/4885

“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.