SCHEMBL21701156

SCHEMBL21701156

COc1ccc(C(/C=C/c2c(Cl)cccc2Cl)OC(C)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 0.39
NFE2L2 Q16236 3/20 0.39
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
RELA Q04206 1/20 0.37
MEN1 O00255 1/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
P2RX7 Q99572 1/20 0.35

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
SCHEMBL23873713 0.93 MAOB (0.38) MAOBRAB9AALDH1A1NPC1POLB
SCHEMBL21701145 0.81 CYP3A4 (0.51) MAOBALDH1A1MAPTRELATSHR
SCHEMBL21701152 0.80 ABCB1 (0.40) ALDH1A1MAPTTSHRTDP1L3MBTL1
SCHEMBL21701167 0.78 TUBB4A (0.37) ALDH1A1POLBMAPTKMT2AHPGD
SCHEMBL29034768 0.73 MAPT (0.44) RAB9AALDH1A1NPC1MAPTKMT2A
SCHEMBL23873780 0.72 MAOB (0.56) MAOBRAB9ANPC1MAPTKMT2A
SCHEMBL21701157 0.71 CYP1A2 (0.43) MAOBRAB9AALDH1A1NPC1MAPT
SCHEMBL21701166 0.70 CYP2D6 (0.54) MAOBRAB9ANPC1MAPTNFE2L2
SCHEMBL1224283 0.70 MAOB (0.72) MAOBRAB9AALDH1A1MAPTKMT2A
SCHEMBL1224286 0.70 MAOB (0.72) MAOBRAB9AALDH1A1MAPTKMT2A

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
US-11912704-B2 Methods and compositions for substituted arylcycloheptane analogs UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-02-27 US disclosed
WO-2020033567-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2020-02-13 WO 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-11912704-B2 Methods and compositions for substituted arylcycloheptane analogs AHR, HCCS, HMBS MAOB 135/4885RAB9A 2413/4885ALDH1A1 529/4885

“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.