SCHEMBL17404396

SCHEMBL17404396

Cc1cc(Cl)ccc1C#Cc1ccc(Cl)cc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
HSD11B1 P28845 1/20 0.38
GRM5 P41594 1/20 0.37
CNR1 P21554 1/20 0.37
KMT2A Q03164 2/20 0.36
MAP4K4 O95819 1/20 0.36
MEN1 O00255 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ESR2 Q92731 1/20 0.36
KDM4E B2RXH2 1/20 0.36
FABP4 P15090 1/20 0.35
NR1I2 O75469 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL18607690 0.83 PTGDR2 (0.46) FFAR1CYP1A2CYP2C9CYP2C19PTGDR2
SCHEMBL21698619 0.83 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19NPSR1PTGDR2
SCHEMBL13307710 0.82 FFAR1 (0.53) FFAR1HTR2CCYP2A6
SCHEMBL20788054 0.80 MAPK1 (0.38) CYP1A2CYP2C9CYP2C19NPSR1PTGDR2
SCHEMBL17577282 0.80 PTGDR2 (0.46) NPSR1PTGDR2MAP4K4KDM4EL3MBTL1
SCHEMBL21959340 0.79 MAPK1 (0.41) FFAR1CYP1A2NPSR1PTGDR2GRM5
SCHEMBL17577295 0.79 SMN1; SMN2 (0.39) CYP1A2CYP2C9CYP2C19NPSR1PTGDR2
SCHEMBL17404399 0.77 PGR (0.40) NPSR1PTGDR2CNR1KMT2AMAP4K4
SCHEMBL17916928 0.76 FFAR1 (0.39) FFAR1CYP1A2NPSR1PTGDR2KMT2A
SCHEMBL18607864 0.76 CHAT (0.40) CYP1A2NPSR1PTGDR2GRM5KMT2A

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-9793500-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-17 US disclosed
US-20160005984-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-07 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-20160005984-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNT1, CCNE2, CCNE1 FFAR1 2729/4885CYP1A2 1660/4885CYP2C9 1806/4885

“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.