SCHEMBL2173149

SCHEMBL2173149

Brc1ccccc1C#CC#Cc1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 1/20 0.35
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
APP P05067 1/20 0.30
PLCG1 P19174 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL2466535 0.88 FFAR1 (0.47) FFAR1ALDH1A1MAPK1CA1CA2
SCHEMBL30468202 0.88 FFAR1 (0.47) FFAR1ALDH1A1MAPK1CA1CA2
SCHEMBL28016124 0.83 FFAR1 (0.41) FFAR1ALDH1A1MAPK1CA1CA2
SCHEMBL28401249 0.81 FFAR1 (0.40) FFAR1ALDH1A1MAPK1CA1CA2
SCHEMBL3282977 0.79 FFAR1 (0.42) FFAR1ALDH1A1MAPK1CA1CA2
SCHEMBL2089353 0.79 ALDH1A1 (0.40) FFAR1ALDH1A1MAPK1CA1CA2
SCHEMBL12408477 0.79 FFAR1 (0.59) FFAR1ALDH1A1CA1CA2APP
SCHEMBL8780975 0.79 FFAR1 (0.42) FFAR1ALDH1A1MAPK1CA1CA2
SCHEMBL1920588 0.77 FFAR1 (0.57) FFAR1ALDH1A1MAPK1CA1CA2
SCHEMBL29843195 0.77 FFAR1 (0.57) FFAR1ALDH1A1MAPK1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044218-B2 Chalcogen-containing fused polycyclic organic material and method for producing same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-10-25 US disclosed
EP-1700860-B1 POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIALS, INTERMEDIATE THEREFOR, PROCESS FOR PRODUCING POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIALS, AND PROCESS FOR PRODUCING INTERMEDIATE FOR POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIALS JAPAN SCIENCE & TECH AGENCY (JP) 2011-07-27 EP disclosed
US-7973190-B2 Polycyclic fused ring type π-conjugated organic material, intermediate therefor, process for producing polycyclic fused ring type π-conjugated organic material, and process for producing intermediate of polycyclic fused ring type π-conjugated organic material JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-07-05 US disclosed
US-7973190-B2 Polycyclic fused ring type π-conjugated organic material, intermediate therefor, process for producing polycyclic fused ring type π-conjugated organic material, and process for producing intermediate of polycyclic fused ring type π-conjugated organic material JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-07-05 US disclosed
US-20090143605-A1 POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIAL, INTERMEDIATE THEREFOR, PROCESS FOR PRODUCING POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIAL, AND PROCESS FOR PRODUCING INTERMEDIATE OF POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIAL JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-06-04 US disclosed
US-20090143605-A1 POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIAL, INTERMEDIATE THEREFOR, PROCESS FOR PRODUCING POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIAL, AND PROCESS FOR PRODUCING INTERMEDIATE OF POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIAL JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-06-04 US disclosed
US-20070117973-A1 Chalcogen-containing fused polycyclic organic material and method for producing same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-05-24 US disclosed
EP-1700860-A1 POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIALS, INTERMEDIATE THEREFOR, PROCESS FOR PRODUCING POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIALS, AND PROCESS FOR PRODUCING INTERMEDIATE FOR POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIALS Japan Science and Technology Agency (JP) 2006-09-13 EP 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-20090143605-A1 POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIAL, INTERMEDIATE THEREFOR, PROCESS FOR PRODUCING POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIAL, AND PROCESS FOR PRODUCING INTERMEDIATE OF POLYCYCLIC FUSED RING TYPE PI-CONJUGATED ORGANIC MATERIAL THEM6, RICTOR, FARSB FFAR1 3114/4885ALDH1A1 3932/4885MAPK1 3046/4885
US-20070117973-A1 Chalcogen-containing fused polycyclic organic material and method for producing same SLC43A1, OCIAD2, SLC22A8 FFAR1 4472/4885ALDH1A1 4207/4885MAPK1 3271/4885

“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.