SCHEMBL21404136

SCHEMBL21404136

C=C[C@H](C)[C@@H](C)CCC=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 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
SCHEMBL21404137 1.00 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL7032667 0.80 TSHR (0.35) ALDH1A1TSHR
SCHEMBL6444472 0.80 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL2162960 0.75
SCHEMBL1783577 0.74
SCHEMBL1284382 0.72
SCHEMBL21404223 0.71
SCHEMBL21404225 0.71
SCHEMBL21404226 0.71
SCHEMBL466695 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834421-B2 Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2023-12-05 US disclosed
US-11834421-B2 Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2023-12-05 US disclosed
CN-111741948-B Saturated ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof 日本烟草产业株式会社 2023-11-10 CN disclosed
EP-3760619-B1 SATURATED RING-CONDENSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUND, AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2023-10-25 EP disclosed
US-20220119355-A1 SATURATED-RING-FUSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUNDS AND PHARMACEUTICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2022-04-21 US disclosed
EP-3760619-A1 SATURATED RING-CONDENSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUND, AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2021-01-06 EP disclosed
CN-111741948-A Saturated ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof 日本烟草产业株式会社 2020-10-02 CN disclosed
US-20190300490-A1 SATURATED-RING-FUSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2019-10-03 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 (3 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-20190300490-A1 SATURATED-RING-FUSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUNDS AND PHARMACEUTICAL USE THEREOF RORC, RORB, RORA ALDH1A1 237/4885TSHR 1091/4885
US-11834421-B2 Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof RORC, RORB, RORA ALDH1A1 252/4885TSHR 1026/4885
US-20220119355-A1 SATURATED-RING-FUSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUNDS AND PHARMACEUTICAL USE THEREOF RORC, RORB, RORA ALDH1A1 252/4885TSHR 1026/4885

“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.