SCHEMBL20738720

SCHEMBL20738720

COc1cccc(C(C)CO)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.67
AOC3 Q16853 3/20 0.53
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CASR P41180 2/20 0.50
TAAR1 Q96RJ0 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

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
SCHEMBL18793790 1.00 ABCB11 (0.67) ABCB11AOC3TSHRMAPK1L3MBTL1
SCHEMBL24925773 1.00 ABCB11 (0.67) ABCB11AOC3TSHRMAPK1L3MBTL1
SCHEMBL11174933 0.86 AOC3 (0.50) ABCB11AOC3L3MBTL1CASRTAAR1
SCHEMBL1416955 0.84 ABCB11 (0.47) ABCB11L3MBTL1
SCHEMBL14162717 0.83 CASR (0.51) ABCB11AOC3L3MBTL1CASRTAAR1
SCHEMBL11992976 0.83 CASR (0.51) ABCB11AOC3L3MBTL1CASRTAAR1
SCHEMBL2632814 0.83 CASR (0.51) ABCB11AOC3L3MBTL1CASRTAAR1
SCHEMBL10192231 0.83 CASR (0.51) ABCB11AOC3L3MBTL1CASRTAAR1
SCHEMBL8661020 0.83 AOC3 (0.54) AOC3TSHRMAPK1L3MBTL1CASR
SCHEMBL11534785 0.82 PTGS1 (0.61) ABCB11

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 5 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
CN-104640852-A Dna-pk inhibitors VERTEX PHARMA 2015-05-20 CN 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 2337/4885AOC3 1363/4885TSHR 1190/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 ABCB11 2337/4885AOC3 1363/4885TSHR 1190/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ABCB11 2454/4885AOC3 1352/4885TSHR 1152/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ABCB11 2337/4885AOC3 1363/4885TSHR 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.