SCHEMBL1723737

SCHEMBL1723737

CCCCCC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.60
CES1 P23141 9/20 0.58
CES2 O00748 6/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HSD17B10 Q99714 2/20 0.58
CYP1A2 P05177 1/20 0.58
TSHR P16473 3/20 0.52
ALDH1A1 P00352 2/20 0.52
AKR1B1 P15121 1/20 0.50
PPARG P37231 3/20 0.48
PPARD Q03181 3/20 0.48
PPARA Q07869 3/20 0.48
GPR84 Q9NQS5 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
TLR2 O60603 1/20 0.48
ESR1 P03372 1/20 0.48

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
SCHEMBL9568273 0.98 FAAH (0.61) FAAHCES1CES2MEN1KMT2A
SCHEMBL27557547 0.95 FAAH (0.59) FAAHCES1CES2MEN1KMT2A
SCHEMBL1240915 0.92 ALDH1A1 (0.52) FAAHCES1CES2MEN1KMT2A
Pyrrole SCHEMBL1518519 0.86 FAAH (0.47) FAAHCES1CES2MEN1KMT2A
SCHEMBL28055566 0.83 FAAH (0.61) FAAHCES1CES2MEN1KMT2A
SCHEMBL7614009 0.83 FAAH (0.61) FAAHCES1CES2MEN1KMT2A
SCHEMBL5325729 0.81
SCHEMBL10715041 0.81 FAAH (0.56) FAAHCES1CES2MEN1KMT2A
SCHEMBL7028971 0.81 FAAH (0.59) FAAHCES1CES2MEN1KMT2A
SCHEMBL11862399 0.81 FAAH (0.56) FAAHCES1CES2MEN1KMT2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767314-A Selective acylation of monoalkylhydrazines ROHM AND HAAS COMPANY (US) 1998-06-16 US claimed
US-5675037-A REACTING UNSUBSTITUTED OR MONOALKYL-HYDRAZINES WITH TRICHLOROMETHYL ARYL KETONES ROHM AND HAAS COMPANY (US) 1997-10-07 US claimed
CN-1032254-C Selective acylation of hydrazines ROHM & HAAS (US) 1996-07-10 CN claimed
EP-0492839-B1 Selective acylation of hydrazines ROHM & HAAS (US) 1995-04-12 EP claimed
CN-1062527-A The selectively acylating effect of hydrazine ROHM & HAAS (US) 1992-07-08 CN claimed
EP-0492839-A1 Selective acylation of hydrazines ROHM AND HAAS COMPANY (US) 1992-07-01 EP claimed
JP-4290856-A None JP disclosed
CN-102227261-A Hydrogenation of ester, ketone or aldehyde groups with ruthenium complexes having di-amine and phosphorous-nitrogen bidentate ligand FIRMENICH & CIE 2011-10-26 CN disclosed
EP-2370207-A1 HYDROGENATION OF ESTER, KETONE OR ALDEHYDE GROUPS WITH RUTHENIUM COMPLEXES HAVING A DI-AMINE AND A PHOSPHOROUS-NITROGEN BIDENTATE LIGAND Firmenich S.A. (CH) 2011-10-05 EP disclosed
US-20110190523-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH PHOSPHINO-OXIDE BASED RUTHENIUM COMPLEXES FIRMENICH SA (CH) 2011-08-04 US disclosed
EP-2344276-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH PHOSPHINO-OXIDE BASED RUTHENIUM COMPLEXES Firmenich S.A. (CH) 2011-07-20 EP disclosed
WO-2010061350-A1 HYDROGENATION OF ESTER, KETONE OR ALDEHYDE GROUPS WITH RUTHENIUM COMPLEXES HAVING A DI-AMINE AND A PHOSPHOROUS-NITROGEN BIDENTATE LIGAND FIRMENICH SA (CH) 2010-06-03 WO disclosed
WO-2010038209-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH PHOSPHINO-OXIDE BASED RUTHENIUM COMPLEXES FIRMENICH SA (CH) 2010-04-08 WO disclosed
CN-1032254-C Selective acylation of hydrazines ROHM & HAAS (US) 1996-07-10 CN disclosed
EP-0492839-B1 Selective acylation of hydrazines ROHM & HAAS (US) 1995-04-12 EP disclosed
JP-H04290856-A PRODUCTION OF MONOACYLATED HYDRAZINE ROHM & HAAS CO 1992-10-15 JP disclosed
CN-1062527-A The selectively acylating effect of hydrazine ROHM & HAAS (US) 1992-07-08 CN disclosed
CN-1062527-A The selectively acylating effect of hydrazine ROHM & HAAS (US) 1992-07-08 CN disclosed
EP-0492839-A1 Selective acylation of hydrazines ROHM AND HAAS COMPANY (US) 1992-07-01 EP disclosed
EP-0492839-A1 Selective acylation of hydrazines ROHM AND HAAS COMPANY (US) 1992-07-01 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 (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-20110190523-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH PHOSPHINO-OXIDE BASED RUTHENIUM COMPLEXES PNN, ADH5, NCL FAAH 1788/4885CES1 1043/4885CES2 697/4885

“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.