SCHEMBL1177017

SCHEMBL1177017

COC1=C(Br)C(=NO)CCC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 2/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.31
UBE2N P61088 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL12871696 1.00 HSD17B10 (0.34) HSD17B10KDM4EALDH1A1HPGDKMT2A
SCHEMBL1177014 1.00 HSD17B10 (0.34) HSD17B10KDM4EALDH1A1HPGDKMT2A
SCHEMBL12871718 0.82
SCHEMBL12885766 0.79
SCHEMBL1176769 0.78 KDM4E (0.36) HSD17B10KDM4EALDH1A1HPGDKMT2A
SCHEMBL1176770 0.78 KDM4E (0.36) HSD17B10KDM4EALDH1A1HPGDKMT2A
SCHEMBL14531024 0.78 KDM4E (0.36) HSD17B10KDM4EALDH1A1HPGDKMT2A
SCHEMBL1912779 0.68 BRD4 (0.32) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL9153017 0.67
SCHEMBL10606036 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945605-B1 PROCESS FOR PREPARING SUBSTITUTED ANISIDINES BOEHRINGER INGELHEIM INT (DE) 2013-01-09 EP disclosed
US-7884246-B2 starting from substituted cyclic hydroxy-ketones via aromatization through a substituted oxime intermediate; avoids the use of cryogenic conditions, minimizes the number of operations for an overall faster cycle time; in the preperation of drugs for hepatitis C viral infections BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-08 US disclosed
US-7884246-B2 starting from substituted cyclic hydroxy-ketones via aromatization through a substituted oxime intermediate; avoids the use of cryogenic conditions, minimizes the number of operations for an overall faster cycle time; in the preperation of drugs for hepatitis C viral infections BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-08 US disclosed
US-20080293972-A1 Process for Preparing Substituted Anisidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 US disclosed
US-20080293972-A1 Process for Preparing Substituted Anisidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 US disclosed
EP-1945605-A1 PROCESS FOR PREPARING SUBSTITUTED ANISIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-23 EP disclosed
WO-2007053755-A1 PROCESS FOR PREPARING SUBSTITUTED ANISIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-10 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-20080293972-A1 Process for Preparing Substituted Anisidines ALKBH3, ALKBH1, ALK HSD17B10 792/4885KDM4E 676/4885ALDH1A1 163/4885

“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.