SCHEMBL4568284

SCHEMBL4568284

Fc1ccc(-c2cc3cc(F)c(C4CC4)cc3[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.43
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
VCP P55072 1/20 0.36
KIT P10721 3/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
HRH4 Q9H3N8 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL4568282 0.88 NPC1 (0.47) CTSVCTSLVCPSMN1; SMN2KDM4E
SCHEMBL15998659 0.82 CTSV (0.38) CYP1A1PTGS1PTGS2CTSVCTSL
SCHEMBL4568285 0.81 CDK5 (0.36) CYP1A1VCPCCNB2CDK1CCNB1
SCHEMBL4568286 0.79 CYP19A1 (0.53) VCPSMN1; SMN2KDM4E
SCHEMBL4568277 0.78 PTGS1 (0.42) CYP1A1PTGS1PTGS2CTSVCTSL
SCHEMBL4568270 0.75 CYP1A1 (0.52) CYP1A1CTSVCTSLCCNB2CDK1
SCHEMBL24107951 0.75 CYP1A1 (0.55) CYP1A1VCPSMN1; SMN2KDM4EMEN1
SCHEMBL30340189 0.75 CYP1A1 (0.55) CYP1A1VCPSMN1; SMN2KDM4EMEN1
SCHEMBL30869753 0.72 CYP1A1 (0.68) CYP1A1CTSVCTSLSMN1; SMN2KDM4E
SCHEMBL4568300 0.71 NPC1 (0.47) CTSVCTSLVCPCCNB2CDK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R CYP1A1 996/4885PTGS1 33/4885PTGS2 257/4885

“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.