SCHEMBL21700129

SCHEMBL21700129

COc1ccc(CCCC(=O)Cl)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MTNR1A P48039 1/20 0.47
ESR1 P03372 1/20 0.47
CYP19A1 P11511 1/20 0.47
ESR2 Q92731 1/20 0.47
FFAR4 Q5NUL3 1/20 0.46
MTNR1B P49286 1/20 0.44
CPS1 P31327 2/20 0.43
FFAR1 O14842 1/20 0.43

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
SCHEMBL23386065 0.86 POLB (0.65) POLBMTNR1AESR1CYP19A1ESR2
SCHEMBL2723938 0.81 POLB (0.77) POLBFFAR4FFAR1
SCHEMBL16898440 0.80 MAOB (0.44) FFAR4FFAR1
SCHEMBL1924061 0.79 POLB (0.56) POLBFFAR1
SCHEMBL5024499 0.78 ESR1 (0.49) POLBESR1CYP19A1ESR2
SCHEMBL20244569 0.78 POLB (0.55) POLBFFAR4MTNR1BCPS1FFAR1
SCHEMBL14430371 0.77 POLB (0.61) POLBMTNR1AFFAR4MTNR1BFFAR1
SCHEMBL3316261 0.77 MTNR1A (0.61) POLBMTNR1AMTNR1BFFAR1
SCHEMBL5121065 0.77 ALOX5 (0.66) POLB
SCHEMBL11224282 0.77 ESR1 (0.47) ESR1CYP19A1ESR2

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
EP-3608306-B1 CRYSTAL FORM AND AMORPHOUS FORM OF DEZOCINE ANALOGUE HYDROCHLORIDE SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2022-05-25 EP disclosed
US-11339119-B2 Crystal form and amorphous form of dezocine analogue hydrochloride SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2022-05-24 US disclosed
US-20210147341-A1 CRYSTAL FORM AND AMORPHOUS FORM OF DEZOCINE ANALOGUE HYDROCHLORIDE SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2021-05-20 US disclosed
EP-3608306-A1 CRYSTAL FORM AND AMORPHOUS FORM OF DEZOCINE ANALOGUE HYDROCHLORIDE Shandong Danhong Pharmaceutical Co., Ltd. (CN) 2020-02-12 EP 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-20210147341-A1 CRYSTAL FORM AND AMORPHOUS FORM OF DEZOCINE ANALOGUE HYDROCHLORIDE DAZAP1, IDUA, SIGMAR1 POLB 4608/4885MTNR1A 688/4885ESR1 4855/4885
US-11339119-B2 Crystal form and amorphous form of dezocine analogue hydrochloride DAZAP1, IDUA, SIGMAR1 POLB 4608/4885MTNR1A 688/4885ESR1 4855/4885

“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.