SCHEMBL6284342

SCHEMBL6284342

COc1ccc(-c2c(-c3ccccc3)cc(C)n2-c2ccc(Br)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.48
GLA P06280 1/20 0.47
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
GABRA5 P31644 1/20 0.44
BACE1 P56817 1/20 0.43
AVPR2 P30518 1/20 0.43
AVPR1A P37288 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ACACA Q13085 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6285673 0.85 ESR2 (0.42) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL6283390 0.83 ALDH1A1 (0.47) OXTRALDH1A1KMT2AMEN1KDM4E
SCHEMBL10205955 0.80 ALDH1A1 (0.43) ALDH1A1AVPR1AKMT2AMEN1KDM4E
SCHEMBL6287503 0.77 MAPT (0.54) OXTRGLAALDH1A1BACE1KMT2A
SCHEMBL6282294 0.77 PPARG (0.58)
SCHEMBL6282845 0.77 KMT2A (0.41) GLAALDH1A1GAAKMT2AMEN1
SCHEMBL3862399 0.74 ALDH1A1 (0.65) ALDH1A1BACE1KMT2AMEN1KDM4E
SCHEMBL6285757 0.72 MAPT (0.51) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL445315 0.72 OXTR (0.51) OXTRGLAALDH1A1MGAMGAA
SCHEMBL28161177 0.71 ALDH1A1 (0.60) ALDH1A1GAAKMT2AMEN1KDM4E

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 OXTR 4435/4885GLA 3029/4885GABRA1 4064/4885

“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.