SCHEMBL6285918

SCHEMBL6285918

Cc1ccc(CCc2ccccc2C(F)(F)F)n1CCc1ccc(O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
GFER P55789 1/20 0.38
MAOB P27338 2/20 0.38
LIPG Q9Y5X9 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ATM Q13315 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
EPHX2 P34913 2/20 0.35
OPRM1 P35372 3/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
IDO1 P14902 2/20 0.35
RAB9A P51151 1/20 0.35
CASR P41180 1/20 0.34

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
SCHEMBL6279605 0.83 PTGER1 (0.36) GFERNPSR1CASRALDH1A1GAA
SCHEMBL6285799 0.80 GFER (0.46) GFERNPSR1KDM4ETDP1MEN1
SCHEMBL6279550 0.80 GFER (0.41) GFERFFAR1FFAR4CASRMAPT
SCHEMBL6283145 0.78 PPARG (0.52)
SCHEMBL6279738 0.74 RAB9A (0.49) MAOBATMMEN1KMT2ARAB9A
SCHEMBL6279305 0.72 LMNA (0.54) GFERATMMEN1KMT2AFFAR1
SCHEMBL6285759 0.71 CETP (0.44)
SCHEMBL6287387 0.70 ALDH1A1 (0.39) KDM4EATMMEN1KMT2ARAB9A
SCHEMBL6285923 0.68 ESR1 (0.48) GFERKDM4ETDP1MEN1KMT2A
SCHEMBL17329111 0.67 IDO1 (0.59) HDAC1HDAC8MAOBKDM4EATM

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 HDAC1 394/4885HDAC8 1090/4885GFER 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.