SCHEMBL995776

SCHEMBL995776

NC(=O)C(Oc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.52
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
PARP10 Q53GL7 2/20 0.42
PPARG P37231 7/20 0.42
PPARA Q07869 7/20 0.42
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
CTNNB1 P35222 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
SRC P12931 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
SCHEMBL2560281 0.87 LDHA (0.65) LDHACYP1A2GAACYP2C9PKM
SCHEMBL5411510 0.84 MTNR1A (0.45) LDHACYP1A2GAACYP2C9PKM
SCHEMBL22209161 0.82 TDP1 (0.43) LDHACYP2C19PARP10KMT2AMEN1
SCHEMBL2585126 0.82 LDHA (0.52) LDHACYP1A2PARP10PPARGPPARA
SCHEMBL2052852 0.82 ATM (0.45) LDHACYP1A2GAAPKMPARP10
SCHEMBL4564099 0.79 LDHA (0.52) LDHACYP1A2GAACYP2C9PKM
SCHEMBL6380944 0.79 LDHA (0.62) LDHACYP1A2GAACYP2C9PKM
SCHEMBL10335497 0.79 LDHA (0.52) LDHACYP1A2GAACYP2C9PKM
SCHEMBL10970589 0.79 LDHA (0.52) LDHACYP1A2GAACYP2C9PKM
SCHEMBL11884465 0.78 PARP10 (0.45) CYP1A2GAACYP2C9PKMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105722556-A Improved antiperspirant compositions 里曼贸易有限责任公司 2016-06-29 CN claimed
CN-104490789-A Pellets Comprising An Active Substance Matrix Resistant To Gastric Juice EVONIK ROEHM GMBH 2015-04-08 CN claimed
EP-1587497-B1 METHOD FOR PRODUCING AN IMMEDIATELY DECOMPOSING ORAL FORM OF ADMINISTRATION WHICH RELEASES ACTIVE INGREDIENTS EVONIK ROEHM GMBH (DE) 2014-11-12 EP claimed
US-20130071475-A1 Method For Producing An Oral Pharmaceutical Form With Immediate Disintegration And Active Ingredient Release ROEHM GMBH (DE) 2013-03-21 US claimed
US-8216613-B2 Drugs embedded in anionic acrylic acid-methacryilc acid copolymers; extrusion EVONIK ROEHM GMBH (DE) 2012-07-10 US claimed
JP-4758474-B2 2011-08-31 JP claimed
WO-2011076196-A1 FRANKINCENSE AND BOSWELLIC ACIDS AS A COATING FOR STENTS AND CATHETER BALLOONS CARDIONOVUM SP.Z.O.O. (PL) 2011-06-30 WO claimed
CN-101626769-A Pellets comprising an active substance matrix and a polymer coating, and a method for producing said pellets EVONIK ROEHM GMBH 2010-01-13 CN claimed
CN-101610755-A Pellets comprising a matrix of active substance resistant to gastric juices EVONIK ROEHM GMBH (DE) 2009-12-23 CN claimed
EP-2120880-A2 PELLETS COMPRISING AN ACTIVE SUBSTANCE MATRIX RESISTANT TO GASTRIC JUICE Evonik Röhm GmbH (DE) 2009-11-25 EP claimed
WO-2006116989-A2 ALL-OVER COATING OF VESSEL STENTS HEMOTEQ AG (DE) 2006-11-09 WO claimed
EP-1718347-A2 BIOCOMPATIBLE COATING, METHOD, AND USE OF MEDICAL SURFACES Hemoteq GmbH (DE) 2006-11-08 EP claimed
US-20060216295-A1 Methods of identifying therapeutic targets for the treatment of vulvovaginal atrophy WYETH (US) 2006-09-28 US claimed
WO-2006099610-A2 METHODS OF IDENTIFYING THERAPEUTIC TARGETS FOR THE TREATMENT OF VULVOVAGINAL ATROPHY WYETH (US) 2006-09-21 WO claimed
EP-1667743-A2 BIOCOMPATIBLE, BIOSTABLE COATING OF MEDICAL SURFACES Hemoteq GmbH (DE) 2006-06-14 EP claimed
US-20060051412-A1 Method for producing an immediately decomposing oral form of administration which releases active ingredients ROEHM GMBH & CO. KG (DE) 2006-03-09 US claimed
EP-1587497-A1 METHOD FOR PRODUCING AN IMMEDIATELY DECOMPOSING ORAL FORM OF ADMINISTRATION WHICH RELEASES ACTIVE INGREDIENTS Röhm GmbH & Co. KG (DE) 2005-10-26 EP claimed
WO-2005082434-A2 BIOCOMPATIBLE COATING, METHOD, AND USE OF MEDICAL SURFACES HEMOTEQ GMBH (DE) 2005-09-09 WO claimed
WO-2005032611-A2 BIOCOMPATIBLE, BIOSTABLE COATING OF MEDICAL SURFACES HEMOTEQ GMBH (DE) 2005-04-14 WO claimed
WO-2004066976-A1 METHOD FOR PRODUCING AN IMMEDIATELY DECOMPOSING ORAL FORM OF ADMINISTRATION WHICH RELEASES ACTIVE INGREDIENTS Röhm GmbH & Co. KG (DE) 2004-08-12 WO claimed

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-20060216295-A1 Methods of identifying therapeutic targets for the treatment of vulvovaginal atrophy DNASE1L3, ANXA4, SERPINA6 LDHA 2643/4885CYP1A2 4857/4885GAA 1147/4885

“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.