SCHEMBL145135

SCHEMBL145135

CCCCCCCCN1C(=O)c2ccc(Br)cc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
CNR1 P21554 1/20 0.48
CHRM2 P08172 2/20 0.47
CES1 P23141 2/20 0.47
CDC25A P30304 1/20 0.47
KDM4E B2RXH2 3/20 0.46
PTGS1 P23219 3/20 0.46
PTGS2 P35354 3/20 0.46
MGLL Q99685 2/20 0.46
FAAH O00519 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH2 P05091 1/20 0.44
ALDH3A1 P30838 1/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL12979075 1.00 ALDH1A1 (0.60) ALDH1A1CNR1CHRM2CES1CDC25A
SCHEMBL8658770 0.98 ALDH1A1 (0.62) ALDH1A1CNR1CHRM2CES1CDC25A
SCHEMBL7519644 0.94 ALDH1A1 (0.63) ALDH1A1CNR1CHRM2KDM4EMAPK1
SCHEMBL9810842 0.87 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL10451411 0.81 CNR2 (0.50)
SCHEMBL2892202 0.81 CNR2 (0.50)
SCHEMBL14560519 0.81 HSD17B10 (0.62) ALDH1A1CHRM2CES1CDC25AKDM4E
SCHEMBL10451307 0.81 ACHE (0.49) ALDH1A1CHRM2CES1CDC25AKDM4E
SCHEMBL2665904 0.81 CHRM2 (0.64) CHRM2KDM4E
SCHEMBL19472384 0.81 CDC25A (0.50) ALDH1A1CNR1CES1CDC25APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895963-B2 Organic semiconductor material, organic semiconductor thin film, and organic thin-film transistor DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2014-11-25 US disclosed
EP-2430678-B1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC THIN-FILM TRANSISTOR DAINICHISEIKA COLOR CHEM (JP) 2014-01-01 EP disclosed
EP-2430678-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC THIN-FILM TRANSISTOR Dainichiseika Color & Chemicals Mfg. Co., Ltd. (JP) 2012-03-21 EP disclosed
US-20120056166-A1 Organic semiconductor material, organic semiconductor thin film, and organic thin-film transistor DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2012-03-08 US disclosed
WO-2010131764-A1 ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC THIN-FILM TRANSISTOR DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2010-11-18 WO 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-20120056166-A1 Organic semiconductor material, organic semiconductor thin film, and organic thin-film transistor SLCO2A1, SOST, SLCO1A2 ALDH1A1 4049/4885CNR1 4618/4885CHRM2 304/4885

“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.