SCHEMBL10270848

SCHEMBL10270848

C=C1CCCc2ccc(C)nc21

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.32
RAB9A P51151 2/20 0.32
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
GRM5 P41594 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DRD4 P21917 1/20 0.31

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
SCHEMBL30001849 0.77 S100A4 (0.40) S100A4RAB9ACCR1CCR5KDM4E
SCHEMBL526350 0.77 S100A4 (0.40) S100A4RAB9ACCR1CCR5KDM4E
SCHEMBL14369660 0.77 CCR1 (0.42) S100A4RAB9ACCR1CCR5KDM4E
SCHEMBL10286865 0.73 S100A4 (0.40) S100A4RAB9ACCR1CCR5GRM5
SCHEMBL526376 0.73 KDM4E (0.41) RAB9AKDM4EALDH1A1HTTL3MBTL1
SCHEMBL11992051 0.73 HRH1 (0.37) RAB9AGRM5KDM4EALDH1A1NPC1
SCHEMBL8376059 0.71 NPC1 (0.43) RAB9ACCR1CCR5KDM4ENPC1
SCHEMBL20851623 0.69 S100A4 (0.30) S100A4
SCHEMBL4049766 0.68 CYP1A2 (0.47) RAB9AKDM4EALDH1A1HTTNPC1
SCHEMBL4049763 0.68 CYP1A2 (0.47) RAB9AKDM4EALDH1A1HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606541-B2 PPARg modulators and methods of use EISAI R&D MANAGEMENT CO., LTD. (JP) 2026-04-21 US disclosed
EP-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 EP disclosed
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-03-02 US disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 WO disclosed
WO-2012013754-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-02-02 WO disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 WO 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 (2 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-20230062861-A1 PPARg MODULATORS AND METHODS OF USE PPARG, PPARA, PPARD S100A4 2146/4885RAB9A 2907/4885CCR1 2748/4885
US-12606541-B2 PPARg modulators and methods of use PPARG, PPARA, PPARD S100A4 2849/4885RAB9A 2747/4885CCR1 535/4885

“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.