SCHEMBL13437516

SCHEMBL13437516

CC(=N)CCC1=C(C)CCCC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RARB P10826 2/20 0.50
RARG P13631 2/20 0.50
RARA P10276 1/20 0.50
RXRA P19793 1/20 0.50
ALOX5 P09917 1/20 0.48
ALOX15 P16050 1/20 0.48
TRPA1 O75762 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.39
PLA2G1B P04054 1/20 0.38
PLA2G2A P14555 1/20 0.38
POLK Q9UBT6 1/20 0.38
BLM P54132 1/20 0.36
ACE2 Q9BYF1 4/20 0.36
PDCD1 Q15116 3/20 0.36

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
SCHEMBL22413404 0.83 ALDH1A1 (0.55) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL441670 0.83 RARB (0.56) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL15266487 0.79 RARB (0.56) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL24228266 0.79 ALOX15 (0.57) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL4304302 0.78 ALDH1A1 (0.49) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL10818084 0.78 ALOX15 (0.56) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL10818080 0.78 ALOX15 (0.56) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL23587919 0.78 ALOX15 (0.56) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL23587931 0.76 ALOX15 (0.55) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL8985112 0.76 ALOX15 (0.55) ALDH1A1GAAMAPTNPSR1RARB

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-20100081654-A1 Oncogenic-RAS-signal dependent lethal compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-01 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-20100081654-A1 Oncogenic-RAS-signal dependent lethal compounds HRAS, KRAS, NRAS ALDH1A1 3137/4885GAA 2245/4885MAPT 4026/4885

“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.