SCHEMBL30105965

SCHEMBL30105965

COc1cc2cnn(C3CCCCO3)c2cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
ATR Q13535 3/20 0.39
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
KDM4E B2RXH2 3/20 0.36
EGFR P00533 1/20 0.34
RET P07949 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
POLQ O75417 1/20 0.34
KDM5B Q9UGL1 1/20 0.33
MAP3K5 Q99683 1/20 0.33
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
PDE2A O00408 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL22836590 0.95 RXRA (0.46) RXRARXRBRXRGALDH1A1POLB
SCHEMBL28680416 0.86 RXRA (0.43) RXRARXRBRXRGALDH1A1POLB
SCHEMBL31411431 0.86 RXRA (0.46) RXRARXRBRXRGALDH1A1POLB
SCHEMBL20437973 0.84 RXRA (0.48) RXRARXRBRXRGALDH1A1POLB
SCHEMBL22836368 0.83 RXRA (0.51) RXRARXRBRXRGALDH1A1POLB
SCHEMBL29616025 0.83 RXRA (0.51) RXRARXRBRXRGALDH1A1POLB
SCHEMBL21797086 0.81 RXRA (0.48) RXRARXRBRXRGALDH1A1POLB
SCHEMBL22655786 0.81 RXRA (0.48) RXRARXRBRXRGALDH1A1POLB
SCHEMBL28693246 0.81 RXRA (0.51) RXRARXRBRXRGALDH1A1POLB
SCHEMBL20437662 0.81 RXRA (0.48) RXRARXRBRXRGALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11952364-B2 TRK inhibitors useful as anticancer drugs TYLIGAND BIOSCIENCE (SHANGHAI) LIMITED (CN) 2024-04-09 US disclosed
CN-112739691-B TRK inhibitors as anticancer agents 泰励生物科技(上海)有限公司 2023-05-23 CN disclosed
US-20220388983-A1 TRK INHIBITORS USEFUL AS ANTICANCER DRUGS TYLIGAND BIOSCIENCE (SHANGHAI) LIMITED (CN) 2022-12-08 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 (2 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-11952364-B2 TRK inhibitors useful as anticancer drugs NTRK1, NTRK3, MUSK RXRA 1540/4885RXRB 1372/4885RXRG 1386/4885
US-20220388983-A1 TRK INHIBITORS USEFUL AS ANTICANCER DRUGS NTRK1, NTRK3, MUSK RXRA 1540/4885RXRB 1372/4885RXRG 1386/4885

“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.