SCHEMBL6284532

SCHEMBL6284532

CCCCCCCCCCCCCn1c(C)ccc1-c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ESR2 Q92731 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.43
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 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
SCHEMBL6287201 1.00 ESR1 (0.44) ESR1KDM4EALDH1A1SMN1; SMN2ESR2
SCHEMBL6286424 1.00 ESR1 (0.44) ESR1KDM4EALDH1A1SMN1; SMN2ESR2
SCHEMBL6283337 1.00 ESR1 (0.44) ESR1KDM4EALDH1A1SMN1; SMN2ESR2
SCHEMBL6285796 1.00 ESR1 (0.44) ESR1KDM4EALDH1A1SMN1; SMN2ESR2
SCHEMBL6286307 1.00 ESR1 (0.44) ESR1KDM4EALDH1A1SMN1; SMN2ESR2
SCHEMBL6278973 0.89 ESR1 (0.58) ESR1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL6279774 0.89 ESR1 (0.58) ESR1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL6285719 0.87 ESR1 (0.55) ESR1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL6279699 0.86 ESR1 (0.58) ESR1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL6288055 0.85 ESR1 (0.49) ESR1KDM4EALDH1A1SMN1; SMN2MEN1

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 ESR1 3084/4885KDM4E 171/4885ALDH1A1 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.