SCHEMBL660641

SCHEMBL660641

Cc1cc(Cl)c(OCCO)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.41
PLAU P00749 1/20 0.41
HTR1A P08908 1/20 0.41
REN P00797 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL2476789 0.93 MAPT (0.46) MAPTHPGDMAPK1L3MBTL1KDM4E
SCHEMBL10359370 0.90 KDM4E (0.59) MAPTHPGDMAPK1L3MBTL1KDM4E
SCHEMBL2376058 0.90 MAPT (0.54) MAPTHPGDMAPK1L3MBTL1KDM4E
SCHEMBL14380211 0.88 MAPT (0.53) MAPTHPGDMAPK1L3MBTL1KDM4E
SCHEMBL17565202 0.87 KDM4E (0.42) MAPTHPGDMAPK1L3MBTL1KDM4E
SCHEMBL9349699 0.83 MAPT (0.45) MAPTL3MBTL1KDM4EALDH1A1TDP1
SCHEMBL2448020 0.81 HSD17B10 (0.42) MAPTHPGDMAPK1L3MBTL1ALDH1A1
SCHEMBL2799797 0.81 MAPT (0.53) MAPTHPGDMAPK1L3MBTL1KDM4E
SCHEMBL17087123 0.81 MAPT (0.53) MAPTHPGDMAPK1L3MBTL1KDM4E
SCHEMBL10406213 0.79 PLAU (0.41) MAPTHPGDMAPK1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012085935-A2 COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-06-28 WO disclosed
US-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-05-10 US disclosed
EP-2421828-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN Cadila Healthcare Limited (IN) 2012-02-29 EP disclosed
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
EP-2376473-A1 3,4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Merck Canada Inc. (CA) 2011-10-19 EP disclosed
US-20110237622-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-09-29 US disclosed
US-7968720-B2 Secondary amines as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2011-06-28 US disclosed
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES BEZENCON OLIVIER 2010-12-23 US disclosed
US-20100280024-A1 RENIN INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2010-11-04 US disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 WO disclosed
WO-2006129237-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-07 WO disclosed
EP-0391942-A1 PROCESS FOR THE PREPARATION OF ARYLOXYACETIC ACID EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1990-10-17 EP disclosed
US-4935540-A OXIDIZING ARYLOXYETHANOL IN PRESENCE OF PALLADIUM AND THALLIU M ON CARBON CATALYST, ACIDIFYING EASTMAN CHEMICAL COMPANY 1990-06-19 US disclosed
WO-1989003378-A1 PROCESS FOR THE PREPARATION OF ARYLOXYACETIC ACID EASTMAN KODAK COMPANY (US) 1989-04-20 WO disclosed
US-4804777-A OXIDATION OF ARYLOXYETHANOL USING PALLADIUM, SILVER, CARBON CATALYST EASTMAN KODAK COMPANY (US) 1989-02-14 US disclosed
EP-0011793-B1 PROCESS FOR PREPARING ARYLOXYACETIC ACIDS BAYER AG (DE) 1981-09-02 EP disclosed
US-4238625-A ACTIVATORS OF LEAD AND/OR BISMUTH AND/OR THEIR COMPOUNDS FOR OXIDATION WITH PLATINUM OR PALLADIUM CATALYST BAYER AKTIENGESELLSCHAFT (DE) 1980-12-09 US disclosed
EP-0011793-A1 Process for preparing aryloxyacetic acids BAYER AG (DE) 1980-06-11 EP disclosed
US-4059546-A Textile fiber blend comprising cellulosic fibers and ethylene 2,6-naphthalene dicarboxylate-halogenated comonomers copolyester fibers AVTEX FIBERS INC. (US) 1977-11-22 US 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 (5 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-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN REN, ACE, AGTR1 MAPT 202/4885HPGD 608/4885MAPK1 170/4885
US-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 MAPT 3436/4885HPGD 559/4885MAPK1 830/4885
US-20110237622-A1 RENIN INHIBITORS REN, ACE, ACE2 MAPT 4520/4885HPGD 115/4885MAPK1 936/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 MAPT 1742/4885HPGD 494/4885MAPK1 1440/4885
US-20100280024-A1 RENIN INHIBITORS REN, ACE, AGTR1 MAPT 45/4885HPGD 599/4885MAPK1 465/4885

“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.