SCHEMBL4568277

SCHEMBL4568277

Fc1ccc(-c2cc3ccc(C4CC4)cc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
VCP P55072 1/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
CYP1A1 P04798 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP3 P42574 1/20 0.37

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
SCHEMBL30340189 0.82 CYP1A1 (0.55) TLR9TLR8TLR7VCPCYP1A1
SCHEMBL24107951 0.82 CYP1A1 (0.55) TLR9TLR8TLR7VCPCYP1A1
SCHEMBL4568284 0.78 CYP1A1 (0.43) PTGS1PTGS2VCPCTSVCTSL
SCHEMBL4568279 0.77 TLR9 (0.40) TLR9TLR8TLR7VCPNPC1
SCHEMBL4568281 0.74 CYP19A1 (0.61) TLR9TLR8TLR7VCPNPC1
SCHEMBL695341 0.74 ITK (0.56) CTSVCTSLCYP1A1NPC1RAB9A
SCHEMBL695284 0.74 ALDH1A1 (0.57) CTSVCTSLCYP1A1NPC1RAB9A
SCHEMBL15998659 0.72 CTSV (0.38) PTGS1PTGS2VCPCTSVCTSL
SCHEMBL4568296 0.72 HTR2C (0.48) TLR9TLR7NPC1RAB9AKDM4E
SCHEMBL6117867 0.72 NPC1 (0.57) TLR9TLR8TLR7VCPCTSV

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 PTGS1 33/4885PTGS2 257/4885TLR9 1840/4885

“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.