SCHEMBL21360734

SCHEMBL21360734

COc1ccc2c(c1F)C(C)C(=O)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
ACHE P22303 2/20 0.38
CETP P11597 1/20 0.38
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
S100A4 P26447 1/20 0.36
KMT2A Q03164 1/20 0.36
PIN1 Q13526 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HCRTR2 O43614 1/20 0.33
NQO2 P16083 2/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
TNF P01375 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 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
SCHEMBL9052842 0.78 DRD2 (0.45) ACHEHCRTR2
SCHEMBL21360727 0.74 PIN1 (0.40) CETPPIN1NQO2MTNR1AMTNR1B
SCHEMBL5512979 0.71 HTR2C (0.53) ACHENQO2MTNR1AMTNR1B
SCHEMBL11701406 0.70 BRD4 (0.60) BRD4ACHEMEN1KMT2AKDM4E
SCHEMBL11702749 0.70 HTR2C (0.50) ACHEMEN1KMT2ANPC1
SCHEMBL2314665 0.70 KDM4E (0.53) ACHEMEN1USP2S100A4KMT2A
SCHEMBL10837697 0.67 ADRA1A (0.44) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL948086 0.65 ACP3 (0.46) ACHE
SCHEMBL2310626 0.65 ALDH1A1 (0.46) BRD4ACHEMEN1USP2S100A4
SCHEMBL9309831 0.65 ACHE (0.49) ACHEMEN1USP2KMT2AKDM4E

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 BRD4 1340/4885ACHE 581/4885CETP 4607/4885

“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.