SCHEMBL21796356

SCHEMBL21796356

C[C](c1ccc(CCC(C)(C)C)c(Cl)c1)C(CO)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
CYP2D6 P10635 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL21796357 1.00 EPHX2 (0.32) EPHX2NR1H4CYP2D6SLC6A2SLC6A4
SCHEMBL17891797 0.87 EPHX1 (0.34) EPHX2NR1H4CYP2D6SLC6A2SLC6A4
SCHEMBL17831661 0.77 CYP2D6 (0.42) EPHX2NR1H4CYP2D6SLC6A2SLC6A4
SCHEMBL30665778 0.77 CYP2D6 (0.42) EPHX2NR1H4CYP2D6SLC6A2SLC6A4
SCHEMBL17891912 0.77 EPHX2 (0.36) EPHX2NR1H4CYP2D6SLC6A2SLC6A4
SCHEMBL17891836 0.71 EPHX2 (0.33) EPHX2NR1H4SLC6A2SLC6A4SLC6A3
SCHEMBL17891798 0.71 EPHX2 (0.33) EPHX2NR1H4SLC6A2SLC6A4SLC6A3
SCHEMBL17891835 0.71 EPHX2 (0.33) EPHX2NR1H4SLC6A2SLC6A4SLC6A3
SCHEMBL19480918 0.69 S1PR1 (0.31)
SCHEMBL9917316 0.69 IDO1 (0.50) SLC6A2SLC6A4SLC6A3

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-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-23 US disclosed
EP-3744713-A1 DIYHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF Japan Tobacco Inc. (JP) 2020-12-02 EP disclosed
EP-3231793-B1 DIHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF JAPAN TOBACCO INC (JP) 2020-03-11 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-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI EPHX2 3024/4885NR1H4 812/4885CYP2D6 12/4885

“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.