SCHEMBL21360735

SCHEMBL21360735

COc1cc(Br)cc2c1CCC(=O)C2C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.38
KDM4E B2RXH2 2/20 0.36
BRD4 O60885 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
HTR2B P41595 3/20 0.33

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
SCHEMBL22477050 0.76 KDM4E (0.34) KDM4EBRD4ALDH1A1CA1CA2
SCHEMBL9309831 0.74 ACHE (0.49) KDM4EALDH1A1MEN1KMT2ACA1
SCHEMBL11701406 0.70 BRD4 (0.60) KDM4EBRD4ALDH1A1MEN1KMT2A
SCHEMBL21360725 0.69 HTR2A (0.39) ALDH1A1GAAHTR2AHTR2CHTR2B
SCHEMBL21360807 0.69 TAAR1 (0.34) BRD4ALDH1A1GAAHTR2AHTR2C
SCHEMBL9571041 0.67 HTR2A (0.50) ALDH1A1CA1CA2HTR2AHTR2C
SCHEMBL16269432 0.66 TACR1 (0.37) ERN1CA1CA2CA4CA6
SCHEMBL29383571 0.65 ALDH1A1 (0.46) ERN1KDM4EBRD4ALDH1A1NPSR1
SCHEMBL22618638 0.65 ALDH1A1 (0.46) ERN1KDM4EBRD4ALDH1A1NPSR1
SCHEMBL23704820 0.64 MAOB (0.36) ERN1KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3401306-B1 DEZOCINE ANALOGUE SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2020-09-30 EP disclosed
US-10414718-B2 Dezocine analogue SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2019-09-17 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 (1 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-10414718-B2 Dezocine analogue DDO, DDC, DAO ERN1 4811/4885KDM4E 2232/4885BRD4 1340/4885

“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.