SCHEMBL4032340

SCHEMBL4032340

COc1ccc(CC(=O)Cc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.66
ALDH1A1 P00352 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
RAB9A P51151 2/20 0.63
MAPT P10636 1/20 0.63
USP2 O75604 1/20 0.63
TP53 P04637 1/20 0.63
LTA4H P09960 1/20 0.62
ALOX5 P09917 1/20 0.60
CNR2 P34972 1/20 0.59
HTT P42858 1/20 0.59
PLAU P00749 1/20 0.58
ELANE P08246 1/20 0.58
CTBP2 P56545 1/20 0.57
EGFR P00533 1/20 0.56
ERBB2 P04626 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ATM Q13315 1/20 0.55
ACHE P22303 1/20 0.55

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
SCHEMBL3628705 0.92 HTT (0.68) NPC1ALDH1A1SMN1; SMN2MAPTUSP2
SCHEMBL28267555 0.88 TDP1 (0.69) NPC1ALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL3299784 0.85 NPC1 (0.62) NPC1ALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL11621845 0.84 CTBP2 (0.63) RAB9AUSP2CTBP2L3MBTL1
SCHEMBL28156355 0.83 MAPT (0.55) NPC1ALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL10577487 0.83 HTT (0.62) NPC1ALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL16320907 0.83 ALDH1A1 (0.57) NPC1ALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL3175977 0.82 HTT (0.61) NPC1ALDH1A1SMN1; SMN2MAPTUSP2
SCHEMBL7153605 0.82 HTT (0.61) NPC1ALDH1A1SMN1; SMN2MAPTUSP2
SCHEMBL240822 0.82 KDM4E (0.74) NPC1ALDH1A1SMN1; SMN2RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109046463-B Bidentate aza-carbene-manganese catalyst, preparation method and alkylation synthesis application thereof 中山大学 2021-05-04 CN disclosed
CN-107382640-B β -aryl phenylpropanone compound synthesis method 温州大学 2020-06-05 CN disclosed
CN-107382640-A The synthetic method of β aryl phenylpropyl alcohol ketone class compounds 温州大学 2017-11-24 CN disclosed
EP-1450777-B1 PHARMACEUTICAL COMPOSITION CONTAINING CHALCONE OR ITS DERIVATIVES FOR MATRIX METALLOPROTEINASE INHIBITORY ACTIVITY ANGIOLAB INC (KR) 2013-05-08 EP disclosed
US-7572831-B2 Composition containing chalcone ANGIOLAB, INC. (KR) 2009-08-11 US disclosed
US-20040209952-A1 Composition containing chalcone ANGIOLAB, INC. (KR) 2004-10-21 US disclosed
US-4980508-A Oxidation of 1,2-disulonyhydrazine compound with concentrated nitric acid MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-12-25 US disclosed
US-3947520-A Compounds and process for preparing the same THE UPJOHN COMPANY (US) 1976-03-30 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-20040209952-A1 Composition containing chalcone MMP25, MMP13, MMP17 NPC1 1463/4885ALDH1A1 2424/4885SMN1; SMN2 4416/4885

“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.