SCHEMBL9339448

SCHEMBL9339448

COc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
LTA4H P09960 2/20 0.47
CYP2C9 P11712 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOB P27338 3/20 0.42
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
CHRM3 P20309 2/20 0.41
FAAH O00519 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41

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
SCHEMBL10855943 0.97 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2HTTLTA4H
SCHEMBL10854073 0.97 SMN1; SMN2 (0.50) KDM4EALDH1A1SMN1; SMN2HTTLTA4H
SCHEMBL10859391 0.95 NPC1 (0.49) KDM4EALDH1A1SMN1; SMN2HTTCYP2C9
SCHEMBL10483784 0.92 MMP13 (0.48) KDM4EALDH1A1SMN1; SMN2HTTLTA4H
SCHEMBL10857765 0.91 HTT (0.46) KDM4EALDH1A1SMN1; SMN2HTTCYP2C9
SCHEMBL9799133 0.91 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2HTTLTA4H
SCHEMBL10853574 0.91 ALDH1A1 (0.45) KDM4EALDH1A1SMN1; SMN2HTTLTA4H
SCHEMBL10532258 0.90 NPC1 (0.44) KDM4EALDH1A1SMN1; SMN2HTTCYP2C9
SCHEMBL9558481 0.89 FAAH (0.45) KDM4EALDH1A1SMN1; SMN2HTTCYP2C9
SCHEMBL10858771 0.89 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HTTLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160242418-A1 NON-VOLATILE ORGANIC COMPOUND PESTICIDE FORMULATIONS DISCOVERY PURCHASER CORPORATION 2016-08-25 US disclosed
EP-0421385-B1 Process for producing p-hydroxyneophyl m-phenoxybenzyl ether MITSUI TOATSU CHEMICALS (JP) 1994-06-22 EP disclosed
EP-0257415-B1 INSECTICIDAL RESIN COATING FILM MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-31 EP disclosed
US-5144083-A Ether cleavage using a metal alkoxide or hydroxide MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-09-01 US disclosed
EP-0421385-A1 Process for producing p-hydroxyneophyl m-phenoxybenzyl ether MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-04-10 EP disclosed
EP-0219553-B1 PROCESS FOR PREPARING 3-PHENOXYBENZYL 2-(4-ALKOXYPHENYL)-2-METHYLPROPYL ETHERS MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-03-06 EP disclosed
US-4997650-A (Meth)acrylonitrile polymer MITSUI TOATSU CHEMICALS, INC. (JP) 1991-03-05 US disclosed
US-4873373-A Process for preparation of 3-phenoxybenzyl 2-(4-alkoxyphenyl)-2-methylpropyl ethers MITSUI TOATSU CHEMICALS, INC. (JP) 1989-10-10 US disclosed
US-4818525-A LONG-LASTING; ACRYLONITRILE COPOLYMER MITSUI TOATSU CHEMICALS, INC. (JP) 1989-04-04 US disclosed
EP-0257415-A1 Insecticidal resin coating film MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-03-02 EP disclosed
EP-0219553-A1 PROCESS FOR PREPARING 3-PHENOXYBENZYL 2-(4-ALKOXYPHENYL)-2-METHYLPROPYL ETHERS MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-04-29 EP disclosed
US-4570005-A REACTING THE ARYL PROPYL CHLORIDE WITH THE CORRESPONDING ARYL ALCOHOL OR ARYL MERCAPTAN MITSUITOATSU CHEMICALS INC. (JP) 1986-02-11 US disclosed
US-4542243-A HALOALKYLATION, ETHERIFICATION, HYDRODEHALOGENATION, INSECTICIDES MITSUI TOATSU CHEMICALS, INC. (JP) 1985-09-17 US disclosed
US-4397864-A LOW TOXICITY MITSUITOATSU CHEMICALS INC. (JP) 1983-08-09 US 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 (1 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-20160242418-A1 NON-VOLATILE ORGANIC COMPOUND PESTICIDE FORMULATIONS VDAC1, VDAC2, VDAC3 KDM4E 604/4885ALDH1A1 2161/4885SMN1; SMN2 194/4885

“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.