SCHEMBL670182

SCHEMBL670182

N#CC1(C(=O)O)CC1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.46
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HIF1A Q16665 1/20 0.38
DPP4 P27487 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
OTUD7B Q6GQQ9 1/20 0.36
MCL1 Q07820 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRM6 O15303 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2B P41595 1/20 0.35
MAPK14 Q16539 1/20 0.35
MAPK1 P28482 1/20 0.35
EPHX2 P34913 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
SCHEMBL668935 0.84 SLC1A2 (0.42) CTSCKDM4EMAPTHIF1ADPP4
SCHEMBL669219 0.72 MAPK1 (0.44) CTSCCYP2C19MAPK1
SCHEMBL10073907 0.72 CTSC (0.43) CTSCKDM4ELMNAMAPTHIF1A
SCHEMBL3958433 0.72 GRM2 (0.32)
SCHEMBL3958437 0.72 GRM2 (0.32)
SCHEMBL3549256 0.71 APLNR (0.32)
SCHEMBL28069676 0.70 CTSL (0.39) CTSCALDH1A1MAPK1EPHX2
SCHEMBL15106111 0.70 ALDH1A1 (0.38) CTSCHPGDALDH1A1HSD17B10
SCHEMBL5899749 0.70 SLC6A4 (0.40) CTSCHPGDALDH1A1HSD17B10GRM6
SCHEMBL4755474 0.70 HSD11B1 (0.39) CTSCKDM4ELMNAMAPTHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates PPOX, POR, PCCA CTSC 1037/4885KDM4E 3545/4885LMNA 2060/4885

“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.