SCHEMBL13170495

SCHEMBL13170495

CCc1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3ccc(CC)cc3)C2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.58
TP53 P04637 1/20 0.50
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE4B Q07343 1/20 0.44
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
UCHL1 P09936 1/20 0.40
PTGS2 P35354 1/20 0.40
HTT P42858 2/20 0.39
ABCC4 O15439 1/20 0.39

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
SCHEMBL13170491 0.82 PDE4B (0.52) ALDH1A1MAPTLMNANPC1MAPK1
SCHEMBL13170578 0.82 PDE4B (0.52) ALDH1A1MAPTLMNANPC1MAPK1
SCHEMBL20160837 0.82 PDE4B (0.52) ALDH1A1MAPTLMNANPC1MAPK1
SCHEMBL4250744 0.82 PDE4B (0.52) ALDH1A1MAPTLMNANPC1MAPK1
SCHEMBL14094715 0.82 FFAR1 (0.47) LMNAPDE4BHTTABCC4GAA
SCHEMBL20160807 0.80 LMNA (0.52) ALDH1A1MAPTLMNANPC1MAPK1
SCHEMBL2914914 0.80 TP53 (0.68) TP53ALDH1A1MAPTLMNANPC1
SCHEMBL403303 0.80 TP53 (0.68) TP53ALDH1A1MAPTLMNANPC1
SCHEMBL516326 0.80 PDE4B (0.54) ALDH1A1MAPTLMNANPC1MAPK1
SCHEMBL13191568 0.79 PDE4B (0.48) EGFRALDH1A1MAPTPDE4BPTGS2

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-20100222432-A1 Synthetic Carbon Nanotubes KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2010-09-02 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-20100222432-A1 Synthetic Carbon Nanotubes CYCS, CHN2, TUBA3C EGFR 1621/4885TP53 1034/4885ALDH1A1 4686/4885

“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.