SCHEMBL19612666

SCHEMBL19612666

O=C(Cl)c1ccc(OCCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.64
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PKM P14618 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
PLA2G4B P0C869 1/20 0.54
PPARG P37231 1/20 0.53
MAPT P10636 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLC6A7 Q99884 1/20 0.52
NR4A1 P22736 1/20 0.51

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
SCHEMBL4253642 0.90 PLA2G4B (0.66) FFAR1NPC1RAB9AMEN1KMT2A
SCHEMBL4327125 0.86 PKM (0.73) FFAR1NPC1RAB9AMEN1KMT2A
SCHEMBL6957386 0.83 MAOB (0.71) FFAR1NPC1RAB9AMEN1KMT2A
SCHEMBL28119817 0.83 PARP10 (0.75) FFAR1NPC1RAB9AMEN1KMT2A
SCHEMBL9040124 0.83 FFAR1 (0.64) FFAR1NPC1RAB9AMEN1KMT2A
SCHEMBL228290 0.83 NR4A2 (0.74) FFAR1NPC1RAB9AMEN1KMT2A
SCHEMBL25686462 0.83 NR4A1 (0.55) RAB9AMEN1KMT2APKMPLA2G4B
SCHEMBL10954272 0.82 MAPT (0.59) RAB9APKMMAPTPARP10GAA
SCHEMBL9456979 0.82 NPC1 (0.80) FFAR1NPC1RAB9ACA12CA1
SCHEMBL10850632 0.81 FFAR1 (0.60) FFAR1NPC1RAB9AMEN1KMT2A

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-10174015-B2 Substituted heterocyclic derivative, preparation method and use thereof XIAMEN UNIVERSITY (CN) 2019-01-08 US disclosed
US-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof XIAMEN UNIVERSITY (CN) 2017-11-23 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 (2 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-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof FAAH, NAAA, FAAH2 FFAR1 917/4885NPC1 428/4885RAB9A 1744/4885
US-10174015-B2 Substituted heterocyclic derivative, preparation method and use thereof DHPS, CYP3A5, CYP3A4 FFAR1 4123/4885NPC1 2884/4885RAB9A 2671/4885

“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.