SCHEMBL2494600

SCHEMBL2494600

NCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.77
HRH4 Q9H3N8 1/20 0.49
TK2 O00142 5/20 0.43
TK1 P04183 1/20 0.42
KCNH2 Q12809 1/20 0.42
DUT P33316 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8703547 0.92 KIF11 (0.71) KIF11HRH4TK2TK1KCNH2
SCHEMBL2492363 0.87 KIF11 (1.00) KIF11HRH4TK2TK1DUT
SCHEMBL20827845 0.87 KIF11 (0.63) KIF11KCNH2SMN1; SMN2
SCHEMBL2489578 0.84 KIF11 (0.56) KIF11HRH4TK2TK1KCNH2
SCHEMBL17454867 0.83 KIF11 (0.54) KIF11HRH4TK2TK1KCNH2
SCHEMBL2493523 0.83 KIF11 (0.54) KIF11HRH4TK2TK1KCNH2
SCHEMBL11275984 0.82 KIF11 (0.74) KIF11HRH4TK2TK1DUT
SCHEMBL16353449 0.82 KIF11 (0.61) KIF11TK1KCNH2SMN1; SMN2
SCHEMBL2344128 0.81 KIF11 (0.60) KIF11TK2KCNH2SMN1; SMN2
SCHEMBL2491452 0.81 KIF11 (0.51) KIF11HRH4TK2TK1KCNH2

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
EP-3009123-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2016-04-20 EP disclosed
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2015-11-19 US disclosed
CN-102264357-B Melanin production inhibitor POLA CHEM IND INC 2015-04-01 CN disclosed
EP-2845587-A2 Melanin production inhibitor Pola Chemical Industries Inc. (JP) 2015-03-11 EP disclosed
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2014-12-11 US disclosed
US-8846012-B2 Melanin production inhibitor POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-30 US disclosed
EP-2380567-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2011-10-26 EP disclosed
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 US disclosed
US-20100256098-A1 COMPOUNDS FOR INHIBITING WIP1, PRODRUGS AND COMPOSITIONS THEREOF, AND RELATED METHODS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2010-10-07 US disclosed
EP-2188296-A1 COMPOUNDS FOR INHIBITING WIP1, PRODRUGS AND COMPOSITIONS THEREOF, AND RELATED METHODS The United States Of America, As Represented By The Secretary, Department Of Health And Human Services (US) 2010-05-26 EP disclosed
WO-2009029844-A1 COMPOUNDS FOR INHIBITING WIP1, PRODRUGS AND COMPOSITIONS THEREOF, AND RELATED METHODS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-03-05 WO disclosed
EP-0509005-A1 DIPHENYLSULPHOXIMINE MUSCARINIC RECEPTOR ANTAGONISTS Pfizer Limited (GB) 1992-10-21 EP disclosed
WO-1991010648-A1 DIPHENYLSULPHOXIMINE MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1991-07-25 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 (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-20100256098-A1 COMPOUNDS FOR INHIBITING WIP1, PRODRUGS AND COMPOSITIONS THEREOF, AND RELATED METHODS WAPL, WDR1, DUSP1 KIF11 3735/4885HRH4 3415/4885TK2 2826/4885
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, TH KIF11 4556/4885HRH4 231/4885TK2 2689/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 KIF11 4605/4885HRH4 118/4885TK2 2492/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R KIF11 4611/4885HRH4 127/4885TK2 2433/4885

“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.