SCHEMBL1723738

SCHEMBL1723738

CCCCCC(=O)C(Cl)Cl

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.58
CES1 P23141 4/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
AKR1B1 P15121 1/20 0.50
MEN1 O00255 1/20 0.48
FAAH O00519 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 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
SCHEMBL7028977 0.98 CES2 (0.61) CES2CES1ALDH1A1TSHR
SCHEMBL1304772 0.92
SCHEMBL5423233 0.83 CES2 (0.56) CES2CES1ALDH1A1TSHRAKR1B1
SCHEMBL1037738 0.81 CES2 (0.59) CES2CES1ALDH1A1TSHRMEN1
SCHEMBL10715049 0.81 CES2 (0.54) CES2CES1ALDH1A1TSHRAKR1B1
SCHEMBL10693849 0.81 CES2 (0.59) CES2CES1ALDH1A1TSHRMEN1
SCHEMBL11468377 0.81 CES2 (0.59) CES2CES1ALDH1A1TSHRMEN1
SCHEMBL11459441 0.81 CES2 (0.59) CES2CES1ALDH1A1TSHRMEN1
SCHEMBL11801715 0.79 CES2 (0.52) CES2CES1ALDH1A1TSHRAKR1B1
SCHEMBL10646004 0.79 CES2 (0.52) CES2CES1ALDH1A1TSHRAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112174966-B New method for preparing piroxicam hydrochloride 重庆圣华曦药业股份有限公司 2024-05-14 CN disclosed
CN-112174966-A Novel method for preparing piricaconide hydrochloride 重庆圣华曦药业股份有限公司 2021-01-05 CN disclosed
US-8664428-B2 Method for producing (2,4-dimethylbiphenyl-3-yl)acetic acids, the esters thereof and intermediate compounds BAYER CROPSCIENCE AG (DE) 2014-03-04 US disclosed
US-20120116118-A1 Method for Producing (2,4-Dimethylbiphenyl-3-yl)Acetic Acids, the Esters Thereof and Intermediate Compounds BAYER CROPSCIENCE AG (DE) 2012-05-10 US 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
CN-102164673-A Hydrogenation of esters or carbonyl groups with phosphino-oxide based ruthenium complexes FIRMENICH & CIE 2011-08-24 CN 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

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-20120116118-A1 Method for Producing (2,4-Dimethylbiphenyl-3-yl)Acetic Acids, the Esters Thereof and Intermediate Compounds DDC, DDT, PAH CES2 1393/4885CES1 2252/4885ALDH1A1 40/4885
US-20110190523-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH PHOSPHINO-OXIDE BASED RUTHENIUM COMPLEXES PNN, ADH5, NCL CES2 697/4885CES1 1043/4885ALDH1A1 897/4885

“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.