SCHEMBL2608601

SCHEMBL2608601

OCCc1cn2c(n1)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
LMNA P02545 4/20 0.42
WDR5 P61964 5/20 0.39
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
HTT P42858 3/20 0.38
TSHR P16473 1/20 0.38
PDPK1 O15530 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TPH1 P17752 4/20 0.35
TPH2 Q8IWU9 4/20 0.35
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL871216 0.86 ALDH1A1 (0.44) ALDH1A1LMNAWDR5NPC1RAB9A
SCHEMBL16741185 0.83 ALDH1A1 (0.42) ALDH1A1LMNAWDR5NPC1RAB9A
SCHEMBL25282885 0.80 WDR5 (0.46) ALDH1A1LMNAWDR5NPC1RAB9A
SCHEMBL8883226 0.79 LMNA (0.46) ALDH1A1LMNAWDR5NPC1RAB9A
SCHEMBL8188906 0.79 LMNA (0.47) ALDH1A1LMNAWDR5NPC1RAB9A
SCHEMBL22920064 0.79 ALDH1A1 (0.44) ALDH1A1LMNAWDR5NPC1RAB9A
SCHEMBL25060981 0.77 LMNA (0.46) ALDH1A1LMNAWDR5NPC1RAB9A
SCHEMBL18121425 0.77 WDR5 (0.44) ALDH1A1LMNAWDR5NPC1RAB9A
SCHEMBL23349372 0.77 LMNA (0.46) ALDH1A1LMNAWDR5NPC1RAB9A
SCHEMBL25060996 0.77 WDR5 (0.44) ALDH1A1LMNAWDR5NPC1RAB9A

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-20120095215-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF EYE DISEASES UBE INDUSTRIES, LTD. (JP) 2012-04-19 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-20120095215-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF EYE DISEASES VEGFA, UACA, PGF ALDH1A1 1693/4885LMNA 2371/4885WDR5 3222/4885

“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.