SCHEMBL314283

SCHEMBL314283

Cc1cc(O)n(-c2ccc(C(C)(C)C)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
S1PR4 O95977 1/20 0.43
HSP90AA1 P07900 1/20 0.43
S1PR1 P21453 1/20 0.43
AGTR1 P30556 1/20 0.43
OPRK1 P41145 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
FCGR1A P12314 1/20 0.41
RAB9A P51151 1/20 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
SCHEMBL14434936 0.85 BRAF (0.43) ALDH1A1MAPK1HTTNPC1MAPT
SCHEMBL10120031 0.82 MAPT (0.54) SMN1; SMN2ALDH1A1HTTNPC1MAPT
SCHEMBL11441588 0.82 CYP1A2 (0.47) SMN1; SMN2ALDH1A1MAPK1HTTNPC1
SCHEMBL28620570 0.82 MAPK1 (0.47) SMN1; SMN2ALDH1A1MAPK1NPC1MAPT
SCHEMBL200831 0.80 MAPK1 (0.63) SMN1; SMN2ALDH1A1MAPK1NPC1MAPT
SCHEMBL10712366 0.79 CYP1A2 (0.53) SMN1; SMN2ALDH1A1MAPK1NPC1MAPT
SCHEMBL11436903 0.79 MAPK1 (0.44) SMN1; SMN2ALDH1A1MAPK1NPC1MAPT
SCHEMBL10707004 0.79 POLB (0.60) SMN1; SMN2ALDH1A1MAPK1HTTNPC1
SCHEMBL30490040 0.79 MAPT (0.47) SMN1; SMN2ALDH1A1MAPK1HTTNPC1
SCHEMBL18216839 0.78 GRN (0.56) SMN1; SMN2ALDH1A1KDM4EMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143287-B2 Thrombopoietin mimetics STATEGICS, INC. (US) 2012-03-27 US disclosed
US-8143287-B2 Thrombopoietin mimetics STATEGICS, INC. (US) 2012-03-27 US disclosed
US-8093251-B2 Nitrogen-containing heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-8053453-B2 Pyrazolone compounds and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-11-08 US disclosed
US-20100323965-A1 Thrombopoietin Mimetics STATEGICS, INC. (US) 2010-12-23 US disclosed
US-20100323965-A1 Thrombopoietin Mimetics STATEGICS, INC. (US) 2010-12-23 US disclosed
US-7786159-B2 Thrombopoietin mimetics STATEGICS, INC. (US) 2010-08-31 US disclosed
US-7786159-B2 Thrombopoietin mimetics STATEGICS, INC. (US) 2010-08-31 US disclosed
US-20080139621-A1 Thrombopoietin Mimetics STATEGICS, INC. (US) 2008-06-12 US disclosed
US-20080139621-A1 Thrombopoietin Mimetics STATEGICS, INC. (US) 2008-06-12 US disclosed
WO-2008070583-A2 THROMBOPOIETIN MIMETICS STATEGICS, INC. (US) 2008-06-12 WO disclosed
US-20060069140-A1 Pyrazolone compounds and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-03-30 US disclosed
EP-1549618-A1 PYRAZOLONE COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2005-07-06 EP disclosed
WO-2004033433-A1 PYRAZOLONE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-22 WO 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 (3 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-20080139621-A1 Thrombopoietin Mimetics MPL, THPO, TEK SMN1; SMN2 1872/4885ALDH1A1 2613/4885MAPK1 1750/4885
US-20100323965-A1 Thrombopoietin Mimetics MPL, THPO, TEK SMN1; SMN2 1872/4885ALDH1A1 2613/4885MAPK1 1750/4885
US-20060069140-A1 Pyrazolone compounds and thrombopoietin receptor activator MPL, PDGFRA, THPO SMN1; SMN2 2350/4885ALDH1A1 1338/4885MAPK1 84/4885

“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.