SCHEMBL17367259

SCHEMBL17367259

Cc1ccc(F)c(OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MRGPRX4 Q96LA9 6/20 0.52
KDM1A O60341 5/20 0.49
STAT3 P40763 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGER1 P34995 2/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
MAOB P27338 1/20 0.45
LIPE Q05469 1/20 0.45
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL31473325 0.89 KDM1A (0.46) MAPTMAPK1TDP1L3MBTL1MRGPRX4
SCHEMBL171841 0.86 MRGPRX4 (0.68) MAPTMAPK1TDP1L3MBTL1MRGPRX4
SCHEMBL686650 0.84 MAPT (0.58) MAPTMAPK1TDP1L3MBTL1MRGPRX4
SCHEMBL14228414 0.82 MAPT (0.56) MAPTMAPK1TDP1L3MBTL1MRGPRX4
SCHEMBL28643177 0.82 MRGPRX4 (0.49) MAPTMAPK1TDP1L3MBTL1MRGPRX4
SCHEMBL18787264 0.81 KDM1A (0.48) MAPTMAPK1TDP1L3MBTL1MRGPRX4
SCHEMBL29703994 0.81 KDM1A (0.48) MAPTMAPK1TDP1L3MBTL1MRGPRX4
SCHEMBL26096078 0.81 MAPT (0.51) MAPTMAPK1TDP1L3MBTL1MRGPRX4
SCHEMBL23258544 0.81 MRGPRX4 (0.58) MAPTMAPK1TDP1L3MBTL1MRGPRX4
SCHEMBL28399722 0.81 LMNA (0.52) MAPTMAPK1TDP1L3MBTL1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9549927-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-24 US disclosed
US-20150374690-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2015-12-31 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-20150374690-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAPT 1888/4885MAPK1 4884/4885TDP1 2415/4885

“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.