SCHEMBL6285673

SCHEMBL6285673

Cc1cc(-c2ccccc2)c(-c2ccc(O)cc2)n1-c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.42
ESR1 P03372 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
MDM2 Q00987 2/20 0.38
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.37
MMP3 P08254 1/20 0.37
BCL2L1 Q07817 1/20 0.37
TP53 P04637 1/20 0.36
MAPK13 O15264 1/20 0.36
GCGR P47871 1/20 0.36

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
SCHEMBL6284342 0.85 OXTR (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL6286162 0.81 MAPT (0.43) ESR2ESR1ALDH1A1MEN1KMT2A
SCHEMBL10205955 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL6282294 0.76 PPARG (0.58)
SCHEMBL6286416 0.75 ESR1 (0.42) ESR2ESR1ALDH1A1MEN1KMT2A
SCHEMBL6288437 0.73 MEN1 (0.59) ESR2ESR1ALDH1A1MEN1KMT2A
SCHEMBL28561331 0.70 ALDH1A1 (0.75) ESR2ESR1ALDH1A1MEN1KMT2A
SCHEMBL6287121 0.69 MEN1 (0.55) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL6287200 0.68 MEN1 (0.53) ALDH1A1MEN1KMT2AMAPTHPGD
Biphenyl SCHEMBL27851124 0.68 ALDH1A1 (0.70) ESR2ESR1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM ESR2 1953/4885ESR1 3084/4885ALDH1A1 2470/4885

“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.