SCHEMBL6285923

SCHEMBL6285923

Cc1ccc(C(Cc2ccccc2)C(F)(F)F)n1CCc1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
GFER P55789 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTPN7 P35236 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL6283150 0.81 PPARG (0.58)
SCHEMBL6279743 0.73 SIGMAR1 (0.47) SIGMAR1KDM4EMEN1KMT2ATDP1
SCHEMBL4879015 0.71 MAPT (0.49) SIGMAR1KDM4EMAPTMEN1RECQL
SCHEMBL6285918 0.68 HDAC1 (0.39) GFERKDM4EMAPTMEN1KMT2A
SCHEMBL6279305 0.67 LMNA (0.54) GFERMAPTMEN1CYP2C19BLM
SCHEMBL6285205 0.66 LMNA (0.52) GFERMAPTMEN1CYP2C19BLM
SCHEMBL717373 0.63 ESR1 (0.78) ESR1ESR2CA2KDM4ECYP2C19
SCHEMBL3215341 0.63 OPRK1 (0.59) ESR1ESR2SIGMAR1KDM4EMEN1
SCHEMBL10484125 0.63 ESR1 (0.60) ESR1ESR2SIGMAR1TAAR1
SCHEMBL28452098 0.63 TAAR1 (0.57) ESR1ESR2SIGMAR1KDM4EOPRK1

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 3084/4885ESR2 1953/4885GFER 2720/4885

“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.