SCHEMBL7649090

SCHEMBL7649090

CCCCC/C=C/COc1ccc(C)cc1-n1nc2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
POLB P06746 2/20 0.53
NPC1 O15118 9/20 0.49
RAB9A P51151 9/20 0.49
ALDH1A1 P00352 9/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
MAPT P10636 8/20 0.47
HPGD P15428 7/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 3/20 0.44
THRB P10828 2/20 0.39
IGF2BP2 Q9Y6M1 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL7649097 1.00 KDM4E (0.64) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL11269773 0.83 KDM4E (0.69) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL11269758 0.83 KDM4E (0.69) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL11263116 0.79 KDM4E (0.71) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL7647887 0.74 KDM4E (0.45) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL7647889 0.74 KDM4E (0.45) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL12706012 0.73 KDM4E (0.72) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL19194642 0.72 KDM4E (0.67) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL19194534 0.72 KDM4E (0.67) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL15842418 0.72 KDM4E (0.70) KDM4EPOLBNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127881-B1 Alkylation process and novel hydroxyphenylbenztriazoles DSM IP ASSETS BV (NL) 2012-08-08 EP disclosed
US-6489486-B2 2-(BENZOTRIAZOL-2-YL)-4-METHYL-6-(1-OCTEN-3-YL)-PHENOL, FOR EXAMPLE; MADE BY REACTING A HALOALKENYL OR SULFONYLOXYALKENYL WITH 2-(BENZOTRIAZOL-2-YL)-4-ALKYL-6-PHENOL AND HEATING THE RESULTING INTERMEDIATE ROCHE VITAMINS INC. 2002-12-03 US disclosed
US-20010023293-A1 2-hydroxyphenyl benzotriazoles as uv-a/b filters ROCHE VITAMINS INC. 2001-09-20 US disclosed
EP-1127881-A1 Alkylation process and novel hydroxyphenylbenztriazoles F. HOFFMANN-LA ROCHE AG (CH) 2001-08-29 EP 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-20010023293-A1 2-hydroxyphenyl benzotriazoles as uv-a/b filters CYP1B1, SULT2A1, TPST2 KDM4E 956/4885POLB 743/4885NPC1 3921/4885

“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.