SCHEMBL20738467

SCHEMBL20738467

COc1cc([C@H](C)CO)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.54
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
NFKB1 P19838 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40
LMNA P02545 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39

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
SCHEMBL20414557 0.86 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1GAAHPGDHTT
SCHEMBL14044061 0.86 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1GAAHPGDHTT
SCHEMBL8867400 0.84 PPARG (0.64) ABCB11CYP3A4TSHRPPARGPPARD
SCHEMBL18948447 0.81 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1GAAHPGDHTT
SCHEMBL18793774 0.81 CYP3A4 (0.45) CYP3A4TSHRPPARGPPARDPPARA
SCHEMBL16955914 0.81 CYP3A4 (0.45) CYP3A4TSHRPPARGPPARDPPARA
SCHEMBL1240000 0.80 TSHR (0.42) CYP3A4TSHRPPARGPPARDPPARA
SCHEMBL1239102 0.80 TSHR (0.42) CYP3A4TSHRPPARGPPARDPPARA
SCHEMBL2129702 0.80 ADRB2 (0.42) NFKB1ALDH1A1GAAHPGDHTT
SCHEMBL1237466 0.80 ADRB2 (0.42) NFKB1ALDH1A1GAAHPGDHTT

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 2337/4885CYP3A4 2243/4885TSHR 1190/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 ABCB11 2337/4885CYP3A4 2243/4885TSHR 1190/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ABCB11 2454/4885CYP3A4 2361/4885TSHR 1152/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ABCB11 2337/4885CYP3A4 2243/4885TSHR 1190/4885

“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.