SCHEMBL3810441

SCHEMBL3810441

CC(=O)Nc1c(C)cccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HPGD P15428 2/20 0.52
CYP1A2 P05177 2/20 0.48
CXCR2 P25025 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNJ11 Q14654 1/20 0.45
TRPA1 O75762 2/20 0.45
ATM Q13315 1/20 0.45
NAMPT P43490 1/20 0.45
MEN1 O00255 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNMA1 Q12791 1/20 0.44
HSD17B10 Q99714 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44

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
SCHEMBL436967 0.87 ALDH1A1 (0.59) ALDH1A1HPGDCYP1A2L3MBTL1MEN1
SCHEMBL4047702 0.87 ALDH1A1 (0.55) ALDH1A1HPGDCYP1A2MAOAMAOB
SCHEMBL9168588 0.85 ALDH1A1 (0.57) ALDH1A1HPGDCYP1A2L3MBTL1MEN1
SCHEMBL249105 0.80 ALDH1A1 (0.52) ALDH1A1HPGDCYP1A2MAOAKCNJ11
SCHEMBL11424223 0.80 ALDH1A1 (0.68) ALDH1A1HPGDCYP1A2MAOAL3MBTL1
SCHEMBL11323212 0.78 ALDH1A1 (0.47) ALDH1A1CYP1A2KCNJ11ATMLMNA
SCHEMBL11022909 0.78 HDAC1 (0.49) ALDH1A1HPGDCYP1A2KCNJ11MEN1
SCHEMBL27562738 0.78 HDAC1 (0.49) ALDH1A1CYP1A2KCNJ11KMT2AHSD17B10
SCHEMBL2792321 0.78 HDAC1 (0.49) ALDH1A1CYP1A2KCNJ11KMT2AHSD17B10
SCHEMBL9187652 0.78 ALDH1A1 (0.50) ALDH1A1HPGDCYP1A2L3MBTL1MEN1

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
WO-2014056852-A1 LABELED LIGANDS OF THE OXYTOCIN RECEPTOR UNIVERSITE DE STRASBOURG (FR) 2014-04-17 WO disclosed
WO-2014056852-A1 LABELED LIGANDS OF THE OXYTOCIN RECEPTOR UNIVERSITE DE STRASBOURG (FR) 2014-04-17 WO disclosed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 US disclosed
US-20090306141-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-7528156-B2 Compounds ASTRAZENECA AB (SE) 2009-05-05 US disclosed
CN-1307157-C Novel compounds ASTRAZENECA AB (SE) 2007-03-28 CN disclosed
US-6911458-B2 Compounds ASTRA ZENECA (SE) 2005-06-28 US disclosed
US-20050090494-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2005-04-28 US disclosed
CN-1476434-A Novel compounds 2004-02-18 CN disclosed
US-20030162772-A1 Novel compounds ASTRAZENECA AB (SE) 2003-08-28 US disclosed
EP-1299357-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2001098273-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-12-27 WO disclosed
EP-0080355-B2 Photographic elements containing aryloxy substituted photographic couplers EASTMAN KODAK CO (US) 1994-04-06 EP disclosed
EP-0080355-B1 PHOTOGRAPHIC ELEMENTS CONTAINING ARYLOXY SUBSTITUTED PHOTOGRAPHIC COUPLERS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-05-08 EP disclosed
US-4401752-A Aryloxy substituted photographic couplers and photographic elements and processes employing same EASTMAN KODAK COMPANY (US) 1983-08-30 US disclosed
EP-0080355-A1 Photographic elements containing aryloxy substituted photographic couplers EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1983-06-01 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 (4 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-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 ALDH1A1 2947/4885HPGD 2076/4885CYP1A2 4541/4885
US-20090306141-A1 Novel Compounds CHRM2, CHRM1, C1R ALDH1A1 1779/4885HPGD 4535/4885CYP1A2 345/4885
US-20050090494-A1 Novel compounds CHRM2, CHRM1, C1R ALDH1A1 1779/4885HPGD 4535/4885CYP1A2 345/4885
US-20030162772-A1 Novel compounds RPS4X, RPS4Y1, MRPS18A ALDH1A1 949/4885HPGD 4013/4885CYP1A2 256/4885

“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.