SCHEMBL7076895

SCHEMBL7076895

CC(=CCCCCNOCc1ccccc1)CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
S1PR1 P21453 4/20 0.39
S1PR3 Q99500 2/20 0.39
ALDH1A1 P00352 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ICMT O60725 2/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
LTA4H P09960 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 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
SCHEMBL3424944 0.80 HTT (0.55) HTTALDH1A1NPC1RAB9ALMNA
SCHEMBL9504635 0.79 HTT (0.62) HTTALDH1A1NPC1RAB9ALMNA
SCHEMBL9543244 0.76 HTT (0.53) HTTALDH1A1NPC1RAB9ALMNA
SCHEMBL7081392 0.75 LSS (0.37) HTTS1PR1S1PR3ALDH1A1TRPV1
SCHEMBL9157683 0.73 ALDH1A1 (0.52) HTTALDH1A1NPC1RAB9ALMNA
SCHEMBL437919 0.72 MAOA (0.48) NPC1RAB9ATSHR
SCHEMBL10971010 0.70 MAPT (0.63) S1PR1S1PR3TRPV1LMNATSHR
SCHEMBL10971007 0.70 MAPT (0.63) S1PR1S1PR3TRPV1LMNATSHR
SCHEMBL9069760 0.70 HTT (0.44) HTTALDH1A1NPC1RAB9ALMNA
SCHEMBL1749601 0.70 ALDH1A1 (0.55) ALDH1A1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030149084-A1 Cytostatic agents AYSCOUGH ANDREW PAUL (GB) 2003-08-07 US disclosed
US-6495597-B1 N-FORMYL HYDROXYLAMINE DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2002-12-17 US disclosed
EP-1054861-A1 CYTOSTATIC AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-11-29 EP disclosed
WO-1999041232-A1 CYTOSTATIC AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-08-19 WO 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-20030149084-A1 Cytostatic agents MCTS1, NNMT, MMP12 HTT 1581/4885S1PR1 1702/4885S1PR3 1424/4885

“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.