SCHEMBL9765553

SCHEMBL9765553

COc1cc2ccc3ccccc3c(=O)c2cc1OC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GPR84 Q9NQS5 1/20 0.47
RAD52 P43351 1/20 0.47
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABCG2 Q9UNQ0 6/20 0.46
ABCB1 P08183 3/20 0.46
ABCC1 P33527 2/20 0.46
NQO1 P15559 1/20 0.46
AKR1B1 P15121 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
AHR P35869 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
SCHEMBL6370043 0.85 GPR84 (0.58) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL9040694 0.85 ALDH1A1 (0.60) MAPTALDH1A1NPSR1RAD52SMN1; SMN2
SCHEMBL13100481 0.81 ALDH1A1 (0.56) MAPTALDH1A1RAD52NQO1TDP1
SCHEMBL5334950 0.80 CYP1A2 (0.59) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL7455184 0.79 NPC1 (0.59) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL9132527 0.79 CYP1A2 (0.62) NPC1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL9765521 0.79 MAPT (0.54) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL10634616 0.77 ALDH1A1 (0.41) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL4181934 0.77 ALDH1A1 (0.58) MEN1KMT2AMAPTALDH1A1GPR84
SCHEMBL9765549 0.76 MAOA (0.54) MEN1KMT2ANPC1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272621-B1 Method for the production of 5H-dibenzo[a,d]cyclohepten-5-ones BASF Aktiengesellschaft (DE) 1991-11-27 EP disclosed
US-4845302-A Preparation of 5H-dibenzo[a,d]cyclohepten-5-ones BASF AKTIENGSELLSCHAFT (DE) 1989-07-04 US disclosed
EP-0272621-A2 Method for the production of 5H-dibenzo[a,d]cyclohepten-5-ones BASF Aktiengesellschaft (DE) 1988-06-29 EP disclosed