SCHEMBL30003445

SCHEMBL30003445

c1ccc2c3c(ccc2c1)OCCC3

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP1A2 P05177 1/20 0.53
GLA P06280 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
MAPT P10636 2/20 0.50
ACHE P22303 2/20 0.44
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
SMPD1 P17405 1/20 0.41
VDR P11473 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL371993 1.00 KDM4E (0.53) KDM4EHSD17B10CYP1A2GLACYP2C9
SCHEMBL29670013 1.00 KDM4E (0.53) KDM4EHSD17B10CYP1A2GLACYP2C9
SCHEMBL30505176 0.91 HPRT1 (0.47) KDM4EHSD17B10CYP1A2GLACYP2C9
SCHEMBL372146 0.91 HPRT1 (0.47) KDM4EHSD17B10CYP1A2GLACYP2C9
SCHEMBL7473565 0.89 KDM4E (0.56) KDM4EHSD17B10CYP1A2GLACYP2C9
SCHEMBL30830197 0.89 KDM4E (0.56) KDM4EHSD17B10CYP1A2GLACYP2C9
Water SCHEMBL16634424 0.87 KDM4E (0.54) KDM4EHSD17B10CYP1A2GLACYP2C9
SCHEMBL29269339 0.80 HPRT1 (0.50) KDM4EHSD17B10CYP1A2GLACYP2C9
Acetic Acid SCHEMBL11711913 0.78 KDM4E (0.50) KDM4EHSD17B10CYP1A2GLACYP2C9
SCHEMBL1143507 0.77 HTR2C (0.45) ACHEMTNR1AMTNR1B

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-3521907-B1 PHOTOCHROMIC LENS AND POLYMERIZABLE COMPOSITION MITSUI CHEMICALS INC (JP) 2024-12-04 EP disclosed
EP-3438147-B1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL OBTAINED FROM COMPOSITION, AND PLASTIC LENS MITSUI CHEMICALS INC (JP) 2023-06-21 EP disclosed
US-11414515-B2 Polymerizable composition for optical material and optical material and plastic lens obtainable from same composition MITSUI CHEMICALS, INC. (JP) 2022-08-16 US disclosed