SCHEMBL17831706

SCHEMBL17831706

CC(C(=O)O)c1ccc(CCC(C)(C)C)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.47
AKR1C2 P52895 8/20 0.47
PTGS1 P23219 5/20 0.47
CHRM1 P11229 1/20 0.47
APP P05067 2/20 0.46
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
PTGS2 P35354 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC22A6 Q4U2R8 2/20 0.40
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
FABP2 P12104 1/20 0.40
TSHR P16473 1/20 0.40
AKR1C4 P17516 1/20 0.40

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
SCHEMBL17831730 0.85 MT-CO2 (0.40) PTGS1APPPSEN1PSEN2APH1B
SCHEMBL17904517 0.78 APP (0.35) AKR1C3AKR1C2PTGS1APPPTGS2
SCHEMBL31240209 0.74 AKR1C3 (0.69) AKR1C3AKR1C2PTGS1CHRM1APP
SCHEMBL1512537 0.74 AKR1C3 (0.69) AKR1C3AKR1C2PTGS1CHRM1APP
SCHEMBL1590709 0.74 AKR1C3 (0.69) AKR1C3AKR1C2PTGS1CHRM1APP
SCHEMBL9558656 0.73 CHRM1 (0.46) AKR1C3AKR1C2PTGS1CHRM1APP
SCHEMBL30665778 0.73 CYP2D6 (0.42) MEN1KMT2ALMNAMAPT
SCHEMBL17831661 0.73 CYP2D6 (0.42) MEN1KMT2ALMNAMAPT
SCHEMBL11188335 0.72 PTGS1 (0.48) AKR1C3AKR1C2PTGS1CHRM1APP
SCHEMBL9063726 0.72 PTGS1 (0.48) AKR1C3AKR1C2PTGS1CHRM1APP

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 17 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
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-23 US disclosed
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-23 US disclosed
US-20210130300-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2021-05-06 US disclosed
US-20210130300-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2021-05-06 US disclosed
EP-3744713-A1 DIYHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF Japan Tobacco Inc. (JP) 2020-12-02 EP disclosed
EP-3744713-A1 DIYHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF Japan Tobacco Inc. (JP) 2020-12-02 EP disclosed
CN-107001286-B Dihydropyrimidine-2-one compounds and medicinal use thereof 日本烟草产业株式会社 2020-07-07 CN disclosed
EP-3231793-B1 DIHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF JAPAN TOBACCO INC (JP) 2020-03-11 EP disclosed
US-10196363-B2 Dihydropyrimidin-2-one compounds and medical use thereof JAPAN TOBACCO INC. (JP) 2019-02-05 US disclosed
US-10196363-B2 Dihydropyrimidin-2-one compounds and medical use thereof JAPAN TOBACCO INC. (JP) 2019-02-05 US disclosed
EP-3231793-A1 DIHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF JAPAN TOBACCO INC. (JP) 2017-10-18 EP disclosed
EP-3231793-A1 DIHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF JAPAN TOBACCO INC. (JP) 2017-10-18 EP disclosed
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2016-07-07 US disclosed
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2016-07-07 US disclosed
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2016-07-07 US disclosed
WO-2016093342-A1 DIHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF 日本たばこ産業株式会社 2016-06-16 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 (4 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-10196363-B2 Dihydropyrimidin-2-one compounds and medical use thereof REN, PKD2, ALPI AKR1C3 3360/4885AKR1C2 2247/4885PTGS1 561/4885
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI AKR1C3 3360/4885AKR1C2 2247/4885PTGS1 561/4885
US-20210130300-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI AKR1C3 3360/4885AKR1C2 2247/4885PTGS1 561/4885
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI AKR1C3 3360/4885AKR1C2 2247/4885PTGS1 561/4885

“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.