SCHEMBL6636617

SCHEMBL6636617

C/C=C/C(=O)N(CCC)CCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
APP P05067 3/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
TP53 P04637 1/20 0.38
CA1 P00915 2/20 0.37
CYP3A4 P08684 3/20 0.37
LMNA P02545 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.35
PTGS1 P23219 1/20 0.34

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
SCHEMBL11460809 1.00 CA12 (0.44) CA12CA2CA9APPTSHR
SCHEMBL9113596 0.91 CA12 (0.41) CA12CA2CA9APPTSHR
SCHEMBL1834006 0.87 CA12 (0.50) CA12CA2CA9APPTSHR
SCHEMBL11433922 0.86 CA12 (0.48) CA12CA2CA9ALDH1A1HPGD
SCHEMBL11460819 0.86 CA12 (0.48) CA12CA2CA9ALDH1A1HPGD
SCHEMBL28889133 0.83 ZDHHC20 (0.53) CA12CA2CA9ALDH1A1CA1
SCHEMBL11462249 0.81 ITGB2 (0.35) CA12CA2CA9ALDH1A1CA1
SCHEMBL104713 0.80 NPC1 (0.48) CA12CA9APPCA1CYP3A4
SCHEMBL1517918 0.80 CA12 (0.48) CA12CA2CA9APPTSHR
SCHEMBL104712 0.80 NPC1 (0.48) CA12CA9APPCA1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 US disclosed
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 US disclosed
EP-2090570-B1 IMIDAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2011-11-09 EP disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 EP disclosed
EP-1449835-A2 Alpha-substituted pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2004-08-25 EP disclosed
EP-0002735-B1 PROCESS FOR THE PREPARATION OF PIPERONYLIDENECROTON AMIDES HAARMANN & REIMER GMBH (DE) 1980-12-10 EP disclosed
EP-0002734-B1 PROCESS FOR THE PREPARATION OF PIPERONYLIDENECROTON AMIDES HAARMANN & REIMER GMBH (DE) 1980-09-17 EP disclosed
US-4209445-A FROM PIPERONAL AND A CROTONIC AMIDE IN PRESENCE OF QUATERNARY AMMONIUM OR PHOSPHONIUM HYDROXIDE OR CROWN ETHER METAL COMPLEX HAARMAN & REIMER GMBH (DE) 1980-06-24 US disclosed
US-4209446-A FROM PIPERONAL AND A CROTONIC AMIDE IN PRESENCE OF ALKALI METAL HYDROXIDE AND DIPOLAR APROTIC DILUENT HAARMAN & REIMER GMBH (DE) 1980-06-24 US disclosed
EP-0002734-A2 Process for the preparation of piperonylidenecroton amides HAARMANN & REIMER GMBH (DE) 1979-07-11 EP disclosed
EP-0002735-A2 Process for the preparation of piperonylidenecroton amides HAARMANN & REIMER GMBH (DE) 1979-07-11 EP 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-20120289502-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 CA12 4475/4885CA2 1704/4885CA9 3960/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 CA12 4475/4885CA2 1704/4885CA9 3960/4885

“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.