SCHEMBL17858626

SCHEMBL17858626

Cc1ccc(OCc2ccc(F)cc2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.53
MAPT P10636 4/20 0.50
RAB9A P51151 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
ATM Q13315 1/20 0.50
MAPK14 Q16539 1/20 0.49
BRD4 O60885 1/20 0.49
PPARA Q07869 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
STAT3 P40763 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 3/20 0.47
HPGD P15428 3/20 0.47
CISD1 Q9NZ45 1/20 0.46
SLC6A4 P31645 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL13929749 0.90 MRGPRX4 (0.58) MRGPRX4MAPTRAB9AL3MBTL1ATM
SCHEMBL22381399 0.88 BRD4 (0.52) MRGPRX4MAPTRAB9AMAPK14BRD4
SCHEMBL13929748 0.85 MRGPRX4 (0.55) MRGPRX4MAPTRAB9AL3MBTL1ATM
SCHEMBL19242940 0.84 ACHE (0.53) MAPTRAB9AL3MBTL1BRD4SMN1; SMN2
SCHEMBL130824 0.83 MRGPRX4 (0.68) MRGPRX4MAPTRAB9AL3MBTL1ATM
SCHEMBL15588794 0.83 MRGPRX4 (0.56) MRGPRX4MAPTRAB9AMAPK14BRD4
SCHEMBL11910290 0.83 MRGPRX4 (0.64) MRGPRX4
SCHEMBL18805044 0.83 MRGPRX4 (0.64) MRGPRX4
SCHEMBL169716 0.81 MRGPRX4 (0.53) MRGPRX4MAPTRAB9AL3MBTL1ATM
SCHEMBL31193398 0.81 MAOB (0.56) MRGPRX4RAB9APPARASMN1; SMN2NPC1

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-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-12-21 US disclosed
WO-2016100347-A2 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-06-23 WO 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-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 MRGPRX4 3402/4885MAPT 3279/4885RAB9A 546/4885

“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.