SCHEMBL3282977

SCHEMBL3282977

Brc1ccccc1C#Cc1cc(Br)c(C#Cc2ccccc2Br)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.32
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
CA1 P00915 1/20 0.30
CA4 P22748 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
SCHEMBL30468202 0.89 FFAR1 (0.47) FFAR1ALDH1A1KDM4EMEN1NPC1
SCHEMBL2466535 0.89 FFAR1 (0.47) FFAR1ALDH1A1KDM4EMEN1NPC1
SCHEMBL29038518 0.80 NQO2 (0.39) FFAR1ALDH1A1NPC1CYP1A2MAPT
SCHEMBL12408477 0.80 FFAR1 (0.59) FFAR1ALDH1A1KDM4EMEN1NPC1
SCHEMBL2173149 0.79 FFAR1 (0.41) FFAR1ALDH1A1KDM4EMEN1NPC1
SCHEMBL28016124 0.79 FFAR1 (0.41) FFAR1ALDH1A1KDM4EMEN1NPC1
SCHEMBL1920588 0.78 FFAR1 (0.57) FFAR1ALDH1A1KDM4EMEN1NPC1
SCHEMBL10623230 0.78 APP (0.57) FFAR1ALDH1A1KDM4EMEN1NPC1
SCHEMBL29843195 0.78 FFAR1 (0.57) FFAR1ALDH1A1KDM4EMEN1NPC1
SCHEMBL28401249 0.77 FFAR1 (0.40) FFAR1ALDH1A1MAPK1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705174-B2 Condensed polycyclic π-conjugated organic material, intermediate product therefor, and method of manufacturing condensed polycyclic π-conjugated organic material JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-27 US disclosed
US-7705174-B2 Condensed polycyclic π-conjugated organic material, intermediate product therefor, and method of manufacturing condensed polycyclic π-conjugated organic material JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-27 US disclosed
US-20060100433-A1 n-conjugated organic material of polycyclic fused ring type,intermediate therefor, and process for producing n-conjugated organic material of polycyclic fused ring type JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2006-05-11 US disclosed
EP-1548019-A1 -CONJUGATED ORGANIC MATERIAL OF POLYCYCLIC FUSED RING TYPE, INTERMEDIATE THEREFOR, AND PROCESS FOR PRODUCING-CONJUGATED ORGANIC MATERIAL OF POLYCYCLIC FUSED RING TYPE Japan Science and Technology Agency (JP) 2005-06-29 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 (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-20060100433-A1 n-conjugated organic material of polycyclic fused ring type,intermediate therefor, and process for producing n-conjugated organic material of polycyclic fused ring type SLC39A11, NQO1, SLC43A1 FFAR1 2173/4885ALDH1A1 779/4885KDM4E 3880/4885

“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.