SCHEMBL20738580

SCHEMBL20738580

Cc1cc([C@H](C)CO)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.46
TRPV3 Q8NET8 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGS2 P35354 1/20 0.36
OPRK1 P41145 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL25857177 1.00 ABCB11 (0.46) ABCB11TRPV3AKR1C3AKR1C2TSHR
SCHEMBL12891909 0.84 ABCB11 (0.49) ABCB11TRPV3AKR1C3AKR1C2TSHR
SCHEMBL8653020 0.84 ABCB11 (0.49) ABCB11TRPV3AKR1C3AKR1C2TSHR
SCHEMBL8343177 0.82 ALDH1A1 (0.46) AKR1C3AKR1C2TSHRALDH1A1HSD17B10
SCHEMBL8281294 0.82 ALDH1A1 (0.46) AKR1C3AKR1C2TSHRALDH1A1HSD17B10
SCHEMBL17086648 0.82 ABCB11 (0.50) ABCB11ALDH1A1HSD17B10PTGS2PKM
SCHEMBL13862134 0.81 CYP3A4 (0.46) TRPV3AKR1C3AKR1C2TSHRALDH1A1
SCHEMBL19055624 0.79 TSHR (0.37) AKR1C3AKR1C2TSHR
SCHEMBL16950957 0.79 TRPV3 (0.35) TRPV3AKR1C3AKR1C2TSHRPTGS2
SCHEMBL5134118 0.79 HTR2A (0.38) AKR1C3AKR1C2TSHR

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 2337/4885TRPV3 3835/4885AKR1C3 994/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 ABCB11 2337/4885TRPV3 3835/4885AKR1C3 994/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ABCB11 2454/4885TRPV3 3868/4885AKR1C3 933/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ABCB11 2337/4885TRPV3 3835/4885AKR1C3 994/4885

“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.