SCHEMBL20738579

SCHEMBL20738579

C[C@H](CO)c1ccc(OC2CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.47
ACACB O00763 11/20 0.47
HRH3 Q9Y5N1 5/20 0.47
FFAR1 O14842 1/20 0.47
APP P05067 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL18101741 0.81 ACACB (0.44) ACACBHRH3FFAR1APPALDH1A1
SCHEMBL31003191 0.79 ACACB (0.50) ACACBHRH3FFAR1APP
SCHEMBL14573487 0.79 ALDH1A1 (0.48) ACACBHRH3FFAR1APPALDH1A1
SCHEMBL13720815 0.79 ACACB (0.49) ACACBHRH3FFAR1
SCHEMBL13153838 0.78 ALDH1A1 (0.43) ACACBHRH3FFAR1ALDH1A1ALOX12
SCHEMBL6680649 0.77 ABCB11 (0.56) ABCB11ACACBFFAR1ALDH1A1
SCHEMBL11772440 0.76 ABCB11 (0.39) ABCB11FFAR1APPALDH1A1ALOX12
SCHEMBL2641075 0.76 ABCB11 (0.52) ABCB11FFAR1
SCHEMBL7419755 0.75 ABCB11 (0.70) ABCB11ALDH1A1
SCHEMBL7051522 0.75 ABCB11 (0.70) ABCB11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 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 (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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 ABCB11 2337/4885ACACB 3916/4885HRH3 719/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 ABCB11 2337/4885ACACB 3916/4885HRH3 719/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ABCB11 2454/4885ACACB 4000/4885HRH3 729/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ABCB11 2337/4885ACACB 3916/4885HRH3 719/4885

“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.