SCHEMBL668935

SCHEMBL668935

N#CC1(C(=O)O)CC1CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.42
CTSK P43235 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CTSS P25774 2/20 0.39
CTSC P53634 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
DPP4 P27487 2/20 0.39
DPP7 Q9UHL4 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
HIF1A Q16665 1/20 0.38
GRM2 Q14416 1/20 0.38
KEAP1 Q14145 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
BRCA1 P38398 1/20 0.37

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
SCHEMBL670182 0.84 CTSC (0.46) MEN1KMT2ACTSCDPP4KDM4E
SCHEMBL10073881 0.81 CTSS (0.41) CTSKMEN1KMT2ACTSSCTSC
SCHEMBL669215 0.75 CTSK (0.39) SLC1A2CTSKMEN1KMT2ACTSS
SCHEMBL10073905 0.74 CTSS (0.41) CTSKMEN1KMT2ACTSSCTSC
SCHEMBL8049074 0.72 CTSK (0.44) SLC1A2CTSKMEN1KMT2ACTSS
SCHEMBL28239851 0.71 SLC1A2 (0.41) SLC1A2KDM4EMAPTHIF1AGRM2
SCHEMBL669219 0.70 MAPK1 (0.44) CTSSCTSCCTSL
SCHEMBL28069676 0.68 CTSL (0.39) CTSKCTSSCTSCCTSLCTSB
SCHEMBL4558689 0.68 SLC6A4 (0.50) KDM4E
SCHEMBL25079043 0.66 NR1H2 (0.39) CTSKKMT2ACTSS

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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 US disclosed
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 SLC1A2 2811/4885CTSK 1162/4885MEN1 3325/4885

“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.