SCHEMBL20179863

SCHEMBL20179863

CN1CC(F)CC1CSCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 2/20 0.34
FFAR1 O14842 1/20 0.32

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
SCHEMBL22329083 0.81 ALDH1A1 (0.33) CYP2D6HIF1AALDH1A1FFAR1
SCHEMBL21191217 0.78 CYP2D6 (0.32) CYP2D6HIF1A
SCHEMBL20179895 0.73 ALDH1A1 (0.34) CYP2D6HIF1AALDH1A1
SCHEMBL20179869 0.71 FFAR1 (0.34) FFAR1
SCHEMBL2419204 0.70 ALDH1A1 (0.42) CYP2D6HIF1AALDH1A1
SCHEMBL20179888 0.70 DPP4 (0.32) CYP2D6HIF1AALDH1A1
SCHEMBL23060607 0.69
SCHEMBL20974864 0.69
SCHEMBL21722218 0.69
SCHEMBL21734081 0.69

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-10696669-B2 Dihydropyrimidine compound and preparation method and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICALS CO., LTD. (CN) 2020-06-30 US disclosed
WO-2018090862-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2018-05-24 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 (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-10696669-B2 Dihydropyrimidine compound and preparation method and use thereof DPYD, TYMP, DHPS CYP2D6 78/4885HIF1A 729/4885ALDH1A1 473/4885

“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.