SCHEMBL4395716

SCHEMBL4395716

O=C(c1ccccc1)C1(O)C=CC=C(O)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
CES2 O00748 3/20 0.33
CES1 P23141 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
DAO P14920 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
MAPK1 P28482 2/20 0.32
TRPA1 O75762 1/20 0.32
GSK3B P49841 1/20 0.32
HIF1A Q16665 1/20 0.32
CA2 P00918 3/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA6 P23280 2/20 0.32
CA9 Q16790 2/20 0.32
CYP3A4 P08684 2/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
CA4 P22748 2/20 0.31

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
Phenol SCHEMBL28156977 0.80 CA12 (0.37) LMNACES2CA2CA12CA1
SCHEMBL8858302 0.78
SCHEMBL29113707 0.78 LMNA (0.33) LMNAMAPK1
SCHEMBL16581402 0.75 TDP1 (0.31) LMNAALDH1A1MAPK1TRPA1GSK3B
SCHEMBL27550068 0.75 LMNA (0.37) LMNACES2CES1ALDH1A1TSHR
SCHEMBL534047 0.72 LMNA (0.38) LMNACES2CES1ALDH1A1TSHR
Benzoic Acid SCHEMBL10793205 0.71 TSHR (0.40) LMNACES2CES1ALDH1A1TSHR
SCHEMBL4043808 0.70 LMNA (0.36) LMNACES2CES1ALDH1A1TSHR
Benzoic Acid SCHEMBL10798695 0.69 DAO (0.38) CES2CES1TSHRDAONAPRT
SCHEMBL6752183 0.69 MEN1 (0.30) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553445-B1 Composition for blocking light and method of forming an image using the composition ROHM & HAAS ELECT MAT (US) 2018-11-14 EP disclosed
US-8981088-B1 Boron subphthalocyanine compounds and method of making XEROX CORPORATION (US) 2015-03-17 US disclosed
US-20150065713-A1 BORON SUBPHTHALOCYANINE COMPOUNDS AND METHOD OF MAKING XEROX CORPORATION (US) 2015-03-05 US disclosed
US-7632621-B2 Mask ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2009-12-15 US disclosed
US-20050164121-A1 Mask ROHM AND HAAS ELECTRONIC MATERIALS, L.L.C. 2005-07-28 US disclosed
EP-1553445-A2 Composition for blocking light and method of forming an image using the composition Rohm and Haas Electronic Materials, L.L.C. (US) 2005-07-13 EP disclosed
EP-1232209-B1 DIMERIC LIGHT STABILIZERS FOR POLYOLEFINS AND POLYOLEFIN COPOLYMERS CIBA SC HOLDING AG (CH) 2004-12-15 EP disclosed
US-6495622-B1 SUCH AS 1,8-DI-(2-HYDROXY-3-(3-HYDROXY-4-BENZOYLPHENOXY)-PROPOXY)-OCTANE; OXYGEN AND/OR HEAT RESISTANCE; NONWOVEN FABRICS; FOOD PACKAGING FILMS CIBA SPECIALTY CHEMICALS CORPORATION 2002-12-17 US disclosed