SCHEMBL15944873

SCHEMBL15944873

CC(C)/N=C(\Cl)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.51
CES2 O00748 2/20 0.50
HTT P42858 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SRD5A2 P31213 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
MGLL Q99685 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
P2RX1 P51575 1/20 0.41

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
SCHEMBL745694 0.80 CES2 (0.56) NPSR1CES2HTTMEN1KMT2A
SCHEMBL30387424 0.80 CES2 (0.56) NPSR1CES2HTTMEN1KMT2A
SCHEMBL745695 0.80 CES2 (0.56) NPSR1CES2HTTMEN1KMT2A
SCHEMBL4039614 0.80 CES2 (0.56) NPSR1CES2HTTMEN1KMT2A
SCHEMBL24119884 0.78 NPSR1 (0.49) NPSR1CES2HTTMEN1KMT2A
SCHEMBL1085516 0.73 KMT2A (0.40) NPSR1CES2KMT2AGAAALDH1A1
SCHEMBL1085514 0.73 KMT2A (0.40) NPSR1CES2KMT2AGAAALDH1A1
Ethane SCHEMBL27364386 0.73 CES2 (0.67) NPSR1CES2HTTMEN1KMT2A
SCHEMBL9137744 0.72 NPC1 (0.53) CES2MEN1KMT2A
SCHEMBL15761220 0.72 NPSR1 (0.53) NPSR1CES2HTTMEN1KMT2A

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-20140228579-A1 METHOD FOR THE CATALYTIC REDUCTION OF ACID CHLORIDES AND IMIDOYL CHLORIDES Brock Unviersity (CA) 2014-08-14 US disclosed
US-20140228579-A1 METHOD FOR THE CATALYTIC REDUCTION OF ACID CHLORIDES AND IMIDOYL CHLORIDES Brock Unviersity (CA) 2014-08-14 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-20140228579-A1 METHOD FOR THE CATALYTIC REDUCTION OF ACID CHLORIDES AND IMIDOYL CHLORIDES CA6, RUVBL2, HACL2 NPSR1 3995/4885CES2 220/4885HTT 4561/4885

“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.