SCHEMBL4410065

SCHEMBL4410065

BrCc1cccc(Br)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 1/20 0.44
TAAR1 Q96RJ0 3/20 0.44
MAOB P27338 2/20 0.43
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
PTGES O14684 1/20 0.39
PYCR1 P32322 1/20 0.39
KDM1A O60341 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL19678032 0.86 ALDH1A1 (0.52) TRPA1ALDH1A1TSHRTDP1CYP3A4
Bromide SCHEMBL160231 0.85 ALDH1A1 (0.50) TRPA1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL6882 0.84
SCHEMBL29353789 0.84
SCHEMBL613602 0.82 TAAR1 (0.56) TRPA1ALDH1A1TSHRTDP1TAAR1
Benzyl Bromide SCHEMBL1043932 0.82 TSHR (0.70) TRPA1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL5972931 0.80 TRPA1 (0.45) TRPA1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL2646995 0.80 ALDH1A1 (0.45) TRPA1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL258733 0.80 TDP1 (0.57) ALDH1A1TSHRTDP1CYP3A4TAAR1
Toluene SCHEMBL28315319 0.79 ALDH1A1 (0.54) TRPA1ALDH1A1TSHRTAAR1MAOB

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-7638663-B2 large energy gap; use in electronic appliance with low power consumption; e.g. 3,3'-di(phenanthrene-9-yl)stilbene SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-12-29 US disclosed
US-20070100180-A1 Stilbene derivative, light emitting element material, light emitting element, light emitting device and electronic appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2007-05-03 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-20070100180-A1 Stilbene derivative, light emitting element material, light emitting element, light emitting device and electronic appliance TLL1, MT-ATP8, TLL2 TRPA1 634/4885ALDH1A1 280/4885TSHR 3849/4885

“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.