SCHEMBL424551

SCHEMBL424551

[CH2]c1ccc(C(C)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
HPGD P15428 4/20 0.54
RAB9A P51151 4/20 0.54
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
HSD17B1 P14061 1/20 0.52
MAPK1 P28482 2/20 0.48
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 1/20 0.46
STAT3 P40763 1/20 0.46
STAT1 P42224 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.45
TAAR1 Q96RJ0 1/20 0.43
STS P08842 1/20 0.43
BRD4 O60885 1/20 0.42

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
SCHEMBL50646 0.85 MAPT (0.68) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL94598 0.82 KMT2A (0.59) MAPTRAB9ALMNAKMT2ASMN1; SMN2
Benzene SCHEMBL5533098 0.79 MAPT (0.75) MAPTHPGDRAB9ALMNAL3MBTL1
Acetic Acid SCHEMBL28009208 0.79 MAPT (0.67) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL21679928 0.78 MAPT (0.54) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL934052 0.78 MAPT (0.54) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL2541028 0.77 KMT2A (0.67) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL6272776 0.77 MAPT (0.61) MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL23691954 0.77 MAPT (0.59) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL9615865 0.77 SRD5A2 (0.55) MAPTHPGDRAB9ALMNAL3MBTL1

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 161 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111484438-B Polysubstituted indole derivative and metal catalysis preparation method thereof 湖北科技学院 2023-02-03 CN claimed
CN-113683474-A Method for synthesizing norbornane compound 海南大学 2021-11-23 CN claimed
CN-111484438-A Polysubstituted indole derivative and metal catalysis preparation method thereof 湖北科技学院 2020-08-04 CN claimed
CN-105906591-A Synthesis method of 2-amino-gamma-butyrolactone hydrochloride 中国药科大学 2016-08-31 CN claimed
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP claimed
CN-102653543-A Preparation method, biological activity and application of 3-substituted type Jolkinolide compound UNIV CHINA PHARMA 2012-09-05 CN claimed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US claimed
EP-1817036-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-08-15 EP claimed
US-20060270653-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-11-30 US claimed
WO-2006058303-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO claimed
US-4670592-A BACTERICIDES, FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-06-02 US claimed
US-4574123-A BACTERICIDES, FUNGICIDES, STERILIZATION, CONTRACEPTIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-03-04 US claimed
US-4567174-A BACTERICIDES, FUNGICIDES, CONTRACEPTIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-28 US claimed
EP-0126567-A1 Bis(1-substituted biguanide) derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-28 EP claimed
EP-0125827-A1 Polyether bisbiguanides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-21 EP claimed
EP-0125092-A1 Bisbiguanide compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-14 EP claimed
EP-0125093-A1 Diaz(ep)ine bis(N-amidinoamidine) derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-14 EP claimed
EP-0125091-A2 4,4'-Alkylenedipiperidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-14 EP claimed
EP-0001841-B1 TYLOSIN DERIVATIVES SANRAKU-OCEAN CO., LTD. (JP) 1982-12-01 EP claimed
US-4029785-A BACTERICIDES, FUNGICIDES CIBA-GEIGY CORPORATION (US) 1977-06-14 US claimed

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-20060270653-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 MAPT 2337/4885HPGD 1197/4885RAB9A 1944/4885

“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.