SCHEMBL21360714

SCHEMBL21360714

COc1cc2c(cc1OC)C(C)=CCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 2/20 0.56
GAA P10253 1/20 0.56
ABCB1 P08183 1/20 0.46
CYP3A4 P08684 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DNMT1 P26358 1/20 0.40
MPO P05164 1/20 0.40
LMNA P02545 1/20 0.40
ACHE P22303 1/20 0.40
CHRNA7 P36544 1/20 0.38
MAOB P27338 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL8584629 0.86 MAOA (0.42) MAOAMAPTALDH1A1KDM4EGAA
SCHEMBL29248724 0.80 MAPT (0.48) MAOAMAPTALDH1A1KDM4EGAA
SCHEMBL12801524 0.79 MAOA (0.50) MAOAMAPTALDH1A1KDM4EGAA
SCHEMBL26546690 0.77 ALDH1A1 (0.47) MAOAMAPTALDH1A1KDM4EGAA
SCHEMBL1669168 0.75 KDM4E (0.46) MAOAMAPTALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL11085129 0.75 ABCB1 (0.51) MAOAMAPTALDH1A1KDM4EGAA
SCHEMBL316976 0.74 MPO (0.66) MAPTALDH1A1KDM4EABCB1CYP1A2
SCHEMBL12119770 0.74 MPO (0.66) MAPTALDH1A1KDM4EABCB1CYP1A2
SCHEMBL11094766 0.74 MPO (0.53) MAOAMAPTALDH1A1KDM4EABCB1
SCHEMBL28209834 0.73 PDE10A (0.47) MAOAMAPTALDH1A1KDM4EGAA

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 MAOA 469/4885MAPT 23/4885ALDH1A1 759/4885

“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.