SCHEMBL4743751

SCHEMBL4743751

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
ALDH1A1 P00352 2/20 0.64
RAB9A P51151 2/20 0.64
NPC1 O15118 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
LMNA P02545 1/20 0.61
ALOX15 P16050 1/20 0.61
APEX1 P27695 1/20 0.61
MAPK1 P28482 1/20 0.61
RECQL P46063 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
GSK3B P49841 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56

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
SCHEMBL153386 0.87 ALDH1A1 (0.76) KMT2AALDH1A1NPC1LMNAALOX15
SCHEMBL269939 0.87 USP5 (0.66) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL17112793 0.85 NPC1 (0.63) MEN1KMT2AALDH1A1RAB9ANPC1
Avobenzone SCHEMBL6595907 0.85 ALDH1A1 (0.72) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL5306428 0.85 ALDH1A1 (0.52) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL269577 0.84 NPC1 (0.52) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL10070207 0.84 RAB9A (0.68) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL10070206 0.84 RAB9A (0.68) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL7638085 0.83 NPC1 (0.58) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL28824890 0.82 KCNH2 (0.70) MEN1KMT2AALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1793798-B1 PHOTO-STABLE COSMETIC OR DERMATOLOGICAL COMPOSITIONS BASF SE (DE) 2016-04-20 EP disclosed
US-20120121524-A1 PHOTO-STABLE COSMETIC OR DERMATOLOGICAL COMPOSITIONS MUELLER STEFAN (DE) 2012-05-17 US disclosed
US-20120121524-A1 PHOTO-STABLE COSMETIC OR DERMATOLOGICAL COMPOSITIONS MUELLER STEFAN (DE) 2012-05-17 US disclosed
US-8119107-B2 Photo-stable cosmetic or dermatological compositions BASF SE (DE) 2012-02-21 US disclosed
US-8119107-B2 Photo-stable cosmetic or dermatological compositions BASF SE (DE) 2012-02-21 US disclosed
US-20100143272-A1 Photo-stable cosmetic or dermatological compositions CIBA SPECIALTY CHEMICALS CORPORATION 2010-06-10 US disclosed
US-20100143272-A1 Photo-stable cosmetic or dermatological compositions CIBA SPECIALTY CHEMICALS CORPORATION 2010-06-10 US disclosed
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2010-02-25 US disclosed
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2010-02-25 US disclosed
WO-2008083974-A1 ACTIVE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2008-07-17 WO disclosed
WO-2008067928-A1 UV ABSORBING COMPOSITIONS CONTAINING A PYRROLYLTRIAZINE ISDIN S.A. (ES) 2008-06-12 WO disclosed
US-6448304-B1 POLYURETHANE, POLYTHIOURETHANE OR DIETHYLENE GLYCOL BISALLYLCARBONATE POLYMER; DIPPING IN SOLUTION CONTAINING A DIBENZOYLMETHANE OR A BENZOTRIZOLE COMPOUND; PLASTIC LENS FOR SPECTACLES WHICH ABSORBS ULTRAVIOLET RAYS; LOW YELLOWNESS HOYA CORPORATION (JP) 2002-09-10 US 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 (3 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-20120121524-A1 PHOTO-STABLE COSMETIC OR DERMATOLOGICAL COMPOSITIONS NISCH, CUTA, MITF MEN1 2580/4885KMT2A 2049/4885ALDH1A1 241/4885
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION UGT2B17, TACR2, UGT1A1 MEN1 2776/4885KMT2A 3114/4885ALDH1A1 28/4885
US-20100143272-A1 Photo-stable cosmetic or dermatological compositions DBF4, CUTA, ARSA MEN1 975/4885KMT2A 742/4885ALDH1A1 325/4885

“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.