SCHEMBL4910176

SCHEMBL4910176

O=C(O)c1ccc(Br)c(OCCBr)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CASP6 P55212 1/20 0.44
TSHR P16473 3/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
TPMT P51580 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PTPN11 Q06124 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL15067519 0.87 F2 (0.51) POLBCASP6TSHRCA12CA1
SCHEMBL31500910 0.85 PLAU (0.47) POLBCASP6TSHRCA12CA1
SCHEMBL9996991 0.85 POLB (0.43) POLBCASP6TSHRCA12CA1
SCHEMBL8773610 0.85 KMT2A (0.54) POLBCASP6TSHRCA12CA1
SCHEMBL1346383 0.84 POLB (0.49) POLBCASP6TSHRCA12CA1
Bromide SCHEMBL31500914 0.84 PLAU (0.46) POLBCASP6TSHRCA12CA1
SCHEMBL2802997 0.84 PTPN11 (0.44) POLBCASP6TSHRCA12CA1
SCHEMBL2499117 0.84 TP53 (0.58) TSHRPTPN11ALDH1A1HPGDTP53
Iodide SCHEMBL31500916 0.84 PLAU (0.46) POLBCASP6TSHRCA12CA1
SCHEMBL4913133 0.83 NOTUM (0.47) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 POLB 4575/4885CASP6 3397/4885TSHR 1671/4885

“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.