SCHEMBL683246

SCHEMBL683246

COc1cc(O)cc(C)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.56
MAPT P10636 2/20 0.56
ALOX5 P09917 5/20 0.48
PTGS2 P35354 5/20 0.48
MAOB P27338 1/20 0.46
CHRM1 P11229 1/20 0.42
ALOX15 P16050 1/20 0.42
MAOA P21397 1/20 0.42
TBXA2R P21731 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
FASN P49327 1/20 0.40
ACHE P22303 1/20 0.39
CYP1A1 P04798 1/20 0.38
PTGS1 P23219 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL320899 0.87 CYP3A4 (0.64) CYP3A4MAPTALOX5PTGS2MAOB
SCHEMBL69301 0.81 CYP3A4 (0.56) CYP3A4MAPTALOX5PTGS2MAOB
SCHEMBL684396 0.81 ALOX5 (0.59) CYP3A4MAPTALOX5PTGS2MAOB
SCHEMBL29421987 0.79 CYP3A4 (0.74) CYP3A4MAPTALOX5PTGS2MAOB
SCHEMBL17265618 0.79 CYP3A4 (0.74) CYP3A4MAPTALOX5PTGS2MAOB
Methoxymethane SCHEMBL28032536 0.79 CYP3A4 (0.54) CYP3A4MAPTALOX5PTGS2MAOB
SCHEMBL23580916 0.77 ALOX5 (0.55) CYP3A4MAPTALOX5PTGS2MAOB
SCHEMBL14951058 0.77 CYP3A4 (0.52) CYP3A4MAPTALOX5PTGS2MAOB
SCHEMBL7289424 0.77 CYP3A4 (0.62) CYP3A4MAPTALOX5PTGS2MAOB
SCHEMBL12587137 0.77 CYP3A4 (0.38) CYP3A4MAPTALOX5PTGS2MAOB

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-20180111889-A1 METHODS OF MAKING MULTICYCLIC COMPOUNDS USING MULTICOMPONENT/TANDEM REACTION SEQUENCES BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, (US) 2018-04-26 US disclosed
US-20130129832-A1 COGNITIVE IMPAIRMENT AMELIORANT TOHOKU UNIVERSITY (JP) 2013-05-23 US disclosed
US-20110287106-A1 COGNITIVE IMPAIRMENT AMELIORANT JAPAN ROYAL JELLEY CO., LTD. (JP) 2011-11-24 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 (3 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-20130129832-A1 COGNITIVE IMPAIRMENT AMELIORANT CHAT, ACHE, PSEN1 CYP3A4 4098/4885MAPT 7/4885ALOX5 467/4885
US-20180111889-A1 METHODS OF MAKING MULTICYCLIC COMPOUNDS USING MULTICOMPONENT/TANDEM REACTION SEQUENCES TYMS, RTCB, POLRMT CYP3A4 871/4885MAPT 2952/4885ALOX5 2591/4885
US-20110287106-A1 COGNITIVE IMPAIRMENT AMELIORANT CHAT, ACHE, PSEN1 CYP3A4 4098/4885MAPT 7/4885ALOX5 467/4885

“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.