SCHEMBL4809461

SCHEMBL4809461

Cc1cccc(N2CCCC2=O)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
LMNA P02545 4/20 0.57
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TSHR P16473 2/20 0.57
HTT P42858 1/20 0.57
HSD17B10 Q99714 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.46
ADRB1 P08588 1/20 0.45
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALOX5 P09917 1/20 0.44
HPGD P15428 2/20 0.44
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL1901693 0.86 DDB1 (0.56) MEN1LMNAKMT2ASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL27753268 0.83 HSD17B10 (0.54) MEN1LMNAKMT2ASMN1; SMN2TSHR
SCHEMBL16197593 0.83 HSD17B10 (0.50) MEN1LMNAKMT2ASMN1; SMN2TSHR
SCHEMBL24388818 0.83 HSD17B10 (0.50) MEN1LMNAKMT2ASMN1; SMN2TSHR
SCHEMBL7931306 0.81 ALDH1A1 (0.52) MEN1LMNAKMT2ASMN1; SMN2TSHR
SCHEMBL20560128 0.81 HSD17B10 (0.44) MEN1LMNAKMT2ASMN1; SMN2TSHR
SCHEMBL12569511 0.81 DDB1 (0.54) MEN1LMNAKMT2ASMN1; SMN2TSHR
SCHEMBL22430467 0.80 MEN1 (0.56) MEN1LMNAKMT2ASMN1; SMN2TSHR
SCHEMBL25098551 0.80 HSD17B10 (0.43) MEN1LMNAKMT2ASMN1; SMN2TSHR
SCHEMBL12494154 0.79 HSD17B10 (0.49) MEN1LMNAKMT2ASMN1; SMN2TSHR

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-7323608-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-01-29 US disclosed
US-20050250959-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-10 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-20050250959-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds CBR3, TST, CBS MEN1 4829/4885LMNA 4807/4885KMT2A 834/4885

“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.