SCHEMBL6285799

SCHEMBL6285799

Cc1ccc(CCc2cccc3ccccc23)n1CCc1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.46
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
BLM P54132 1/20 0.43
AKR1B1 P15121 2/20 0.43
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MTNR1A P48039 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC18A2 Q05940 1/20 0.37
FFAR1 O14842 1/20 0.37
CASR P41180 2/20 0.36
LMNA P02545 1/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35

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
SCHEMBL6279550 0.81 GFER (0.41) GFERMAPTFFAR1CASR
SCHEMBL6285918 0.80 HDAC1 (0.39) GFERMAPTTDP1KDM4EKMT2A
SCHEMBL5699549 0.78 AKR1B1 (0.57) MAPTTDP1BLMAKR1B1KDM4E
SCHEMBL6279605 0.70 PTGER1 (0.36) GFERMAPTALDH1A1NPSR1CASR
SCHEMBL6285759 0.68 CETP (0.44)
SCHEMBL8963452 0.67 KEAP1 (0.60) TDP1
SCHEMBL19324341 0.67 HDAC6 (0.59) GFERKDM4EKMT2AMEN1
SCHEMBL3047898 0.66 CYP1A2 (0.62) TDP1AKR1B1ALDH1A1MTNR1A
SCHEMBL1826164 0.65 CYP1A2 (0.52) TDP1AKR1B1KMT2AALDH1A1MTNR1A
SCHEMBL30988122 0.64 AKR1B1 (0.42) MAPTTDP1BLMAKR1B1KDM4E

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 GFER 2720/4885MAPT 4800/4885TDP1 1772/4885

“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.