SCHEMBL6756532

SCHEMBL6756532

COC(=O)CCC=CCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.60
GPR52 Q9Y2T5 12/20 0.54
CA12 O43570 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45

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
SCHEMBL6756531 1.00 AKT1 (0.60) AKT1GPR52CA12CA7CA9
SCHEMBL6758547 1.00 AKT1 (0.60) AKT1GPR52CA12CA7CA9
SCHEMBL24816438 0.90 AKT1 (0.57) AKT1CA12CA7CA9CA14
SCHEMBL6761494 0.84 F2RL1 (0.57) GPR52ALDH1A1CYP11B1CYP11B2
SCHEMBL6756477 0.84 ALOX5 (0.53) GPR52TDP1
SCHEMBL6761488 0.84 F2RL1 (0.57) GPR52ALDH1A1CYP11B1CYP11B2
SCHEMBL6756479 0.84 ALOX5 (0.53) GPR52TDP1
SCHEMBL6758777 0.83 EPHX2 (0.52) AKT1CA12CA7CA9CA14
SCHEMBL6758781 0.83 EPHX2 (0.52) AKT1CA12CA7CA9CA14
Methyl 3-Phenylpropanoate SCHEMBL168711 0.82 TDP1 (0.68) CA12CA7CA9CA14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034097-A1 Pesticidal activity of functionalized alkenes LINDERMAN RUSSELL J (US) 2004-02-19 US claimed
US-6660770-B2 Inhibit digestion by terminating or blocking synthesis of digestive enzymes by activating trypsin modulating oostatic factor receptor NORTH CAROLINA STATE UNIVERSITY 2003-12-09 US claimed
EP-1241941-B1 PESTICIDAL ACTIVITY OF FUNCTIONALIZED ALKENES UNIV NORTH CAROLINA STATE (US) 2003-06-18 EP claimed
US-6521664-B1 Pesticidal activity of functionalized alkenes NORTH CAROLINA STATE UNIVERSITY 2003-02-18 US claimed
US-20020193436-A1 Pesticidal activity of functionalized alkenes NORTH CAROLINA STATE UNIVERSITY 2002-12-19 US claimed
WO-2002098220-A2 PESTICIDAL ACTIVITY OF FUNCTIONALIZED ALKENES NORTH CAROLINA STATE UNIVERSITY (US) 2002-12-12 WO claimed
EP-1241941-A2 PESTICIDAL ACTIVITY OF FUNCTIONALIZED ALKENES NORTH CAROLINA STATE UNIVERSITY (US) 2002-09-25 EP claimed
WO-2001041543-A2 PESTICIDAL ACTIVITY OF FUNCTIONALIZED ALKENES NORTH CAROLINA STATE UNIVERSITY (US) 2001-06-14 WO claimed
US-20040034097-A1 Pesticidal activity of functionalized alkenes LINDERMAN RUSSELL J (US) 2004-02-19 US disclosed
US-6660770-B2 Inhibit digestion by terminating or blocking synthesis of digestive enzymes by activating trypsin modulating oostatic factor receptor NORTH CAROLINA STATE UNIVERSITY 2003-12-09 US disclosed
EP-1241941-B1 PESTICIDAL ACTIVITY OF FUNCTIONALIZED ALKENES UNIV NORTH CAROLINA STATE (US) 2003-06-18 EP disclosed
US-6521664-B1 Pesticidal activity of functionalized alkenes NORTH CAROLINA STATE UNIVERSITY 2003-02-18 US disclosed
US-20020193436-A1 Pesticidal activity of functionalized alkenes NORTH CAROLINA STATE UNIVERSITY 2002-12-19 US disclosed
WO-2002098220-A2 PESTICIDAL ACTIVITY OF FUNCTIONALIZED ALKENES NORTH CAROLINA STATE UNIVERSITY (US) 2002-12-12 WO disclosed
EP-1241941-A2 PESTICIDAL ACTIVITY OF FUNCTIONALIZED ALKENES NORTH CAROLINA STATE UNIVERSITY (US) 2002-09-25 EP disclosed
WO-2001041543-A2 PESTICIDAL ACTIVITY OF FUNCTIONALIZED ALKENES NORTH CAROLINA STATE UNIVERSITY (US) 2001-06-14 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 (2 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-20020193436-A1 Pesticidal activity of functionalized alkenes VIP, ANPEP, APEH AKT1 3630/4885GPR52 780/4885CA12 2991/4885
US-20040034097-A1 Pesticidal activity of functionalized alkenes VIP, ANPEP, APEH AKT1 3630/4885GPR52 780/4885CA12 2991/4885

“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.