SCHEMBL573719

SCHEMBL573719

CCc1cccc(O)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.56
GABRB2 P47870 4/20 0.56
TSHR P16473 1/20 0.50
HTR1A P08908 2/20 0.44
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
DRD3 P35462 2/20 0.44
IAPP P10997 3/20 0.43
ANPEP P15144 1/20 0.42
DPP4 P27487 1/20 0.42
HSPA5 P11021 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
DAO P14920 2/20 0.41

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
SCHEMBL6912401 0.90 GABRA1 (0.47) GABRA1GABRB2TSHRHTR1ADRD2
SCHEMBL7605260 0.83 GABRA1 (0.40) GABRA1GABRB2TSHRHTR1ADRD2
SCHEMBL2200675 0.83 GABRA1 (0.55) GABRA1GABRB2HTR1ADRD2DRD4
SCHEMBL631373 0.83 TSHR (0.46) GABRA1GABRB2TSHRHTR1AIAPP
SCHEMBL27588717 0.82 TSHR (0.50) GABRA1GABRB2TSHRIAPPHSPA5
SCHEMBL9816664 0.81 HSPA5 (0.56) TSHRHSPA5CA1CA2ESR1
SCHEMBL574234 0.79 BID (0.50) TSHRIAPP
SCHEMBL286832 0.79 TSHR (0.52) TSHRHSPA5CA1CA2ESR1
Nitrogen SCHEMBL10979594 0.78 GABRA1 (0.50) GABRA1GABRB2HTR1ADRD2DRD4
SCHEMBL573936 0.78 BID (0.57) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135297-A1 AQUEOUS VOLATILE ORGANIC COMPOUND FREE DISINFECTANT AND/OR CLEANING COMPOSITION AND METHOD OF PREPARATION ISP INVESTMENTS INC. (US) 2014-05-15 US claimed
CN-103736237-A Fire extinguishing composition containing hydroxyketone compound and derivatives of hydroxyketone compound XI AN JIAN RUI SAFETY EMERGENCY EQUIPMENT LTD LIABILITY COMPANY 2014-04-23 CN claimed
CN-103736239-A Fire extinguishing composition containing aldoketones compound XI AN JIAN RUI SAFETY EMERGENCY EQUIPMENT LTD LIABILITY COMPANY 2014-04-23 CN claimed
WO-2012170841-A1 AN AQUEOUS VOLATILE ORGANIC COMPOUND FREE DISINFECTANT AND/OR CLEANING COMPOSITION AND METHOD OF PREPARATION ISP INVESTMENTS INC. (US) 2012-12-13 WO claimed
EP-2313026-A1 ACTIVE DELIVERY SYSTEM FORMULATIONS Castle Beach, L.L.C. (US) 2011-04-27 EP claimed
US-20100040565-A1 ACTIVE DELIVERY SYSTEMS FORMULATIONS Castle Beach, LLC (US) 2010-02-18 US claimed
WO-2010019680-A1 ACTIVE DELIVERY SYSTEM FORMULATIONS HOMOLA ANDREW M (US) 2010-02-18 WO claimed
US-20090214606-A1 ANTIMICROBIAL POROUS SILICON OXIDE PARTICLES CIBA SPECIALTY CHEMICALS CORP. 2009-08-27 US claimed
EP-1549731-B1 CLEANING AND DISINFECTING COMPOSITION RECKITT BENCKISER INC (US) 2008-12-17 EP claimed
EP-1879457-A1 ANTIMICROBIAL POROUS SILICON OXIDE PARTICLES Ciba Specialty Chemicals Holding, Inc. (CH) 2008-01-23 EP claimed
WO-2005107456-A2 ANTIMICROBIAL SILICON OXIDE FLAKES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-11-17 WO claimed
US-20050233930-A1 Disinfectant cleaning compositions RECKITT BENCKISER INC. (US) 2005-10-20 US claimed
EP-1549730-A1 DISINFECTANT CLEANING COMPOSITIONS Reckitt Benckiser Inc. (US) 2005-07-06 EP claimed
EP-1549731-A1 CLEANING AND DISINFECTING COMPOSITION Reckitt Benckiser Inc. (US) 2005-07-06 EP claimed
EP-1537201-A1 HARD SURFACE TREATING COMPOSITIONS Reckitt Benckiser Inc. (US) 2005-06-08 EP claimed
EP-0805672-B1 METHODS, COMPOSITIONS, AND DENTAL DELIVERY SYSTEMS FOR THE PROTECTION OF THE SURFACES OF TEETH HOMOLA ANDREW M (US) 2004-08-25 EP claimed
WO-2004035724-A1 CLEANING AND DISINFECTING COMPOSITION RECKITT BENCKISER INC (US) 2004-04-29 WO claimed
WO-2004035723-A1 DISINFECTANT CLEANING COMPOSITIONS RECKITT BENCKISER INC (US) 2004-04-29 WO claimed
WO-2004024861-A1 HARD SURFACE TREATING COMPOSITIONS RECKITT BENCKISER INC (US) 2004-03-25 WO claimed
US-5665333-A Methods, compositions, and dental delivery systems for the protection of the surfaces of teeth PROVSEAL LLC 1997-09-09 US 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 (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-20100040565-A1 ACTIVE DELIVERY SYSTEMS FORMULATIONS LIPA, MMP7, CTSA GABRA1 3441/4885GABRB2 3092/4885TSHR 2621/4885
US-20090214606-A1 ANTIMICROBIAL POROUS SILICON OXIDE PARTICLES ORAI3, PRF1, THPO GABRA1 3123/4885GABRB2 2537/4885TSHR 4256/4885

“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.