SCHEMBL6568637

SCHEMBL6568637

CC(Cc1ccccc1)OC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.54
LMNA P02545 2/20 0.54
CYP1A2 P05177 2/20 0.54
POLB P06746 1/20 0.54
SCN1A P35498 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN3A Q9NY46 1/20 0.54
TSHR P16473 3/20 0.53
TP53 P04637 1/20 0.53
NPC1 O15118 3/20 0.52
MDM2 Q00987 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL16366772 1.00 CYP2D6 (0.54) CYP2D6LMNACYP1A2POLBSCN1A
SCHEMBL28194125 0.87 NR4A2 (0.48) TSHRTP53NPC1RAB9AHTT
SCHEMBL20357950 0.85 ALDH1A1 (0.55) CYP1A2SCN1ASCN2ASCN3ATSHR
SCHEMBL14690004 0.85 TSHR (0.57) CYP2D6LMNACYP1A2POLBSCN1A
SCHEMBL1784136 0.85 TSHR (0.57) CYP2D6LMNACYP1A2POLBSCN1A
SCHEMBL560828 0.85 TSHR (0.57) CYP2D6LMNACYP1A2POLBSCN1A
SCHEMBL1068955 0.85 TSHR (0.57) CYP2D6LMNACYP1A2POLBSCN1A
SCHEMBL1073212 0.85 TSHR (0.57) CYP2D6LMNACYP1A2POLBSCN1A
SCHEMBL30884135 0.85 LMNA (0.61) LMNATSHRNPC1KMT2ATDP1
SCHEMBL27928510 0.85 PDCD1 (0.45) CYP2D6LMNACYP1A2POLBSCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105062193-B Printing ink composition and electronic device 广州华睿光电材料有限公司 2020-01-31 CN disclosed
EP-2543658-B1 METHOD FOR PRODUCING A-ACYLOXYCARBONYL COMPOUND AND NOVEL A-ACYLOXYCARBONYL COMPOUND UNIV NAGOYA NAT UNIV CORP (JP) 2015-05-06 EP disclosed
US-8680322-B2 Method for producing alpha-acyloxycarbonyl compound and novel alpha-acyloxycarbonyl compound NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-03-25 US disclosed
EP-2543658-A1 METHOD FOR PRODUCING A-ACYLOXYCARBONYL COMPOUND AND NOVEL A-ACYLOXYCARBONYL COMPOUND National University Corporation Nagoya University (JP) 2013-01-09 EP disclosed
US-20120323014-A1 METHOD FOR PRODUCING ALPHA-ACYLOXYCARBONYL COMPOUND AND NOVEL ALPHA-ACYLOXYCARBONYL COMPOUND MITSUBISHI RAYON CO., LTD. (JP) 2012-12-20 US disclosed
EP-1911438-A2 Cosmetic composition containing a derivative of dibenzoylmethane and a arylalkyl amide or ester compound; method of photostabilising the derivative of dibenzoylmethane L'Oréal (FR) 2008-04-16 EP disclosed
US-20080019930-A1 Dibenzoylmethane sunscreens photostabilized with arylalkyl amide or ester compounds L'OREAL (FR) 2008-01-24 US disclosed
US-20080019930-A1 Dibenzoylmethane sunscreens photostabilized with arylalkyl amide or ester compounds L'OREAL (FR) 2008-01-24 US disclosed
EP-1446086-A1 COMPOSITIONS CONTAINING OILS HAVING A SPECIFIC GRAVITY HIGHER THAN THE SPECIFIC GRAVITY OF WATER Sol-Gel Technologies Ltd. (IL) 2004-08-18 EP disclosed
WO-2003039510-A1 COMPOSITIONS CONTAINING OILS HAVING A SPECIFIC GRAVITY HIGHER THAN THE SPECIFIC GRAVITY OF WATER SOL-GEL TECHNOLOGIES LTD. (IL) 2003-05-15 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-20080019930-A1 Dibenzoylmethane sunscreens photostabilized with arylalkyl amide or ester compounds TYR, DDT, AADAC CYP2D6 216/4885LMNA 2641/4885CYP1A2 90/4885
US-20120323014-A1 METHOD FOR PRODUCING ALPHA-ACYLOXYCARBONYL COMPOUND AND NOVEL ALPHA-ACYLOXYCARBONYL COMPOUND ACOX1, ACOX3, ACADM CYP2D6 1154/4885LMNA 1710/4885CYP1A2 791/4885

“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.