SCHEMBL1483722

SCHEMBL1483722

Cc1ccc(C(=O)C=O)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 2/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
ALDH1A1 P00352 6/20 0.50
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 5/20 0.46
LMNA P02545 2/20 0.46
MITF O75030 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 6/20 0.44
RAB9A P51151 4/20 0.44
KMT2A Q03164 3/20 0.43
HPGD P15428 3/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL11027336 0.84 ALDH1A1 (0.58) SMN1; SMN2HTTCES2CES1ALDH1A1
SCHEMBL11027332 0.84 ALDH1A1 (0.58) SMN1; SMN2HTTCES2CES1ALDH1A1
SCHEMBL19650956 0.83 DPP4 (0.47) SMN1; SMN2HTTALDH1A1TDP1MAPK1
SCHEMBL16346482 0.82 HPGD (0.53) SMN1; SMN2ALDH1A1TDP1MAPK1NPC1
SCHEMBL29957159 0.82 PIM1 (0.44) SMN1; SMN2HTTCES2CES1ALDH1A1
SCHEMBL16346472 0.82 CHRNA1 (0.47) SMN1; SMN2HTTALDH1A1TDP1MAPK1
SCHEMBL13623615 0.82 HDAC1 (0.58) HTTCES2CES1ALDH1A1TDP1
SCHEMBL7568030 0.82 TAS1R3 (0.47) ALDH1A1TDP1MAPK1NPC1POLB
SCHEMBL4905776 0.81 SMN1; SMN2 (0.53) SMN1; SMN2HTTCES2CES1ALDH1A1
Water SCHEMBL11074038 0.80 TAS1R3 (0.46) ALDH1A1TDP1MAPK1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9903028-B2 Nitroxyl-mediated oxidation of lignin and polycarboxylated products WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2018-02-27 US disclosed
US-20170342574-A1 NITROXYL-MEDIATED OXIDATION OF LIGNIN AND POLYCARBOXYLATED PRODUCTS WISCONSIN ALUMNI RESEARCH FOUNDATION 2017-11-30 US disclosed
EP-1636192-B9 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2015-07-01 EP disclosed
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2014-02-20 US disclosed
EP-1636192-B1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2014-01-15 EP disclosed
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2013-01-10 US disclosed
US-8318796-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2011-03-31 US disclosed
US-7576115-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-08-18 US disclosed
US-7351841-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-01 US disclosed
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2008-01-31 US disclosed
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2006-05-04 US disclosed
US-5053509-A Microbiocides; AIDS LABORATOIRE ROGER BELLON (FR) 1991-10-01 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-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 SMN1; SMN2 2016/4885HTT 2565/4885CES2 3384/4885
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 SMN1; SMN2 2170/4885HTT 2445/4885CES2 3376/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 SMN1; SMN2 1967/4885HTT 2555/4885CES2 3450/4885
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 SMN1; SMN2 2016/4885HTT 2565/4885CES2 3384/4885
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 SMN1; SMN2 2016/4885HTT 2565/4885CES2 3384/4885

“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.