SCHEMBL631530

SCHEMBL631530

CCCC(C)c1cc(Br)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 5/20 0.43
ALOX15 P16050 2/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 2/20 0.38
HTT P42858 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
CES2 O00748 1/20 0.36

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
SCHEMBL30395710 1.00 RORC (0.45) RORCNPSR1MAPTLMNASMN1; SMN2
SCHEMBL1861859 0.87 RORC (0.58) RORCNPSR1MAPTLMNASMN1; SMN2
SCHEMBL7950538 0.81 RORC (0.47) RORCMAPTLMNATDP1HPGD
SCHEMBL23714903 0.80 CA2 (0.36) NPSR1MAPTLMNASMN1; SMN2TDP1
SCHEMBL1838233 0.80 ALOX15 (0.47) RORCMAPTLMNATDP1HPGD
SCHEMBL11778568 0.80 SRC (0.47) RORCNPSR1MAPTLMNATDP1
SCHEMBL10407969 0.79 GAA (0.36) MAPTSMN1; SMN2HPGDALOX15KMT2A
SCHEMBL22028461 0.79 ALDH1A1 (0.38) NPSR1MAPTLMNASMN1; SMN2TDP1
SCHEMBL19133209 0.79 APLNR (0.34) NPSR1MAPTKMT2AMEN1GAA
SCHEMBL574260 0.79 MEN1 (0.50) RORCNPSR1MAPTLMNASMN1; SMN2

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 512 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
US-20100040565-A1 ACTIVE DELIVERY SYSTEMS FORMULATIONS Castle Beach, LLC (US) 2010-02-18 US 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
US-20070231295-A1 Antimicrobial Silicon Oxide Flakes CIBA SPECIALTY CHEMICALS CORP. 2007-10-04 US claimed
EP-1755381-A2 ANTIMICROBIAL SILICON OXIDE FLAKES CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-02-28 EP claimed
WO-2006120135-A1 ANTIMICROBIAL POROUS SILICON OXIDE PARTICLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-11-16 WO claimed
US-20060093570-A1 Surface treatment RECKITT BENCKISER (UK) LIMITED (GB) 2006-05-04 US claimed
US-20060040847-A1 Hard surface treating compositions RECKITT BENCKISER INC. 2006-02-23 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
US-20050042266-A1 Cyanoacrylate compositions containing anti-microbial agent CLOSURE MEDICAL CORPORATION (US) 2005-02-24 US claimed
EP-1508601-A1 Cyanoacrylate compositions containing anti-microbial agent Closure Medical Corporation (US) 2005-02-23 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 (4 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 RORC 1883/4885NPSR1 199/4885MAPT 1445/4885
US-20050042266-A1 Cyanoacrylate compositions containing anti-microbial agent CLSPN, PCNA, CDC73 RORC 4330/4885NPSR1 4101/4885MAPT 1547/4885
US-20070231295-A1 Antimicrobial Silicon Oxide Flakes SIK2, SIK3, SIK1 RORC 3634/4885NPSR1 4587/4885MAPT 3891/4885
US-20090214606-A1 ANTIMICROBIAL POROUS SILICON OXIDE PARTICLES ORAI3, PRF1, THPO RORC 2984/4885NPSR1 948/4885MAPT 4811/4885

“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.