SCHEMBL4403375

SCHEMBL4403375

Cc1ccc(C)c(OP)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 5/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 2/20 0.39
TTR P02766 1/20 0.39
CYP2C8 P10632 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA1A P35348 1/20 0.39
PPARG P37231 1/20 0.39
HTR2B P41595 1/20 0.39
PPARA Q07869 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
CISD1 Q9NZ45 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39

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
SCHEMBL10165952 0.80 ACHE (0.46) ACHETSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL3278966 0.79 ACHE (0.50) ACHETSHRTDP1ALDH1A1CYP2C9
SCHEMBL92174 0.77 ACHE (0.68) ACHETSHRTDP1ALDH1A1CYP2C9
SCHEMBL30167567 0.77 ACHE (0.68) ACHETSHRTDP1ALDH1A1CYP2C9
SCHEMBL14516844 0.76 MAPT (0.50) ACHETDP1ALDH1A1CYP2C9LMNA
SCHEMBL172384 0.76 TRPA1 (0.52) ACHETDP1ALDH1A1LMNAHTT
SCHEMBL12415270 0.76 ACHE (0.43) ACHETDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL3288769 0.75 ACHE (0.46) ACHETSHRTDP1ALDH1A1CYP2C9
SCHEMBL11681222 0.75 ALDH1A1 (0.48) ACHETSHRTDP1ALDH1A1CYP2C9
SCHEMBL14521443 0.75 ACHE (0.46) ACHETSHRTDP1ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174947-B2 c-Met modulators and methods of use Exelixus, Inc. (US) 2015-11-03 US disclosed
US-8658654-B2 Receptor-type kinase modulators and methods of use SYMPHONY EVOLUTION, INC. (US) 2014-02-25 US disclosed
US-8476298-B2 c-Met modulators and method of use EXELIXIS, INC. (US) 2013-07-02 US disclosed
US-8178532-B2 c-Met modulators and method of use EXELIXIS, INC. (US) 2012-05-15 US disclosed
US-20090318373-A1 Receptor-type kinase modulators and methods of use KADMON CORPORATION, LLC 2009-12-24 US disclosed
US-7579473-B2 N-(4-{[7-{[3-(diethylamino)propyl] oxy}-6-(methyloxy) quinazolin-4-yl]oxy}-3- fluorophenyl)-N'-(4- fluorophenyl) cyclopropane-1,1-dicarboxamide; for modulating protein kinase enzymatic activity for modulating cell activities such as proliferation, differentiation, programmed cell death EXELIXIS, INC. (US) 2009-08-25 US disclosed
US-7576074-B2 Receptor-type kinase modulators and methods of use KADMON CORPORATION, LLC 2009-08-18 US disclosed
US-20090170896-A1 c-Met modulators and methods of use EXELIXIS, INC. (US) 2009-07-02 US disclosed
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE EXELIXIS, INC (US) 2009-04-23 US disclosed
US-20070244116-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2007-10-18 US disclosed
US-20070225307-A1 C-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2007-09-27 US disclosed
US-20070054928-A1 c-Met modulators and methods of use EXELIXIS, INC. (US) 2007-03-08 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 (6 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-20070054928-A1 c-Met modulators and methods of use FLT4, FLT1, MET ACHE 2573/4885TSHR 2803/4885TDP1 3912/4885
US-20090318373-A1 Receptor-type kinase modulators and methods of use EGFR, EPHA2, ERBB4 ACHE 4155/4885TSHR 1640/4885TDP1 3469/4885
US-20090170896-A1 c-Met modulators and methods of use FLT4, MET, FLT1 ACHE 3399/4885TSHR 2908/4885TDP1 4175/4885
US-20070225307-A1 C-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 ACHE 3149/4885TSHR 2806/4885TDP1 4201/4885
US-20070244116-A1 c-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 ACHE 3149/4885TSHR 2806/4885TDP1 4201/4885
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE FLT4, MET, FLT1 ACHE 3399/4885TSHR 2908/4885TDP1 4175/4885

“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.