SCHEMBL13085233

SCHEMBL13085233

c1ccc2c(c1)ccc1c2ccc2c3ccc4c5ccccc5ccc4c3oc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.70
ALDH1A1 P00352 6/20 0.60
HSD17B10 Q99714 5/20 0.60
TSHR P16473 2/20 0.60
CYP2A6 P11509 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CYP1B1 Q16678 3/20 0.50
PAX8 Q06710 2/20 0.50
HIF1A Q16665 1/20 0.50
KMT2A Q03164 1/20 0.48
HPGD P15428 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP1A1 P04798 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
ALOX15 P16050 1/20 0.46
PDE5A O76074 1/20 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
SCHEMBL5470220 0.92 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL30154375 0.92 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL21331560 0.87 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL22260258 0.87 HPRT1 (0.52) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL17384169 0.85 HPRT1 (0.56) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL17384172 0.85 HPRT1 (0.56) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL31177955 0.84 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
Chrysene SCHEMBL27115 0.84 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
Chrysene SCHEMBL384031 0.84 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL25510 0.84 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TSHRCYP2A6

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
US-20100264814-A1 POLYMER COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-10-21 US disclosed
US-20100264814-A1 POLYMER COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-10-21 US disclosed
EP-2223949-A1 POLYMER COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2010-09-01 EP disclosed