SCHEMBL1004078

SCHEMBL1004078

[CH2]C(C)c1cc(C)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 4/20 0.40
TRPA1 O75762 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
HSD11B1 P28845 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 2/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1003317 0.81 TRPA1 (0.45) ALDH1A1TDP1LMNATRPA1CHRM1
SCHEMBL11882816 0.80 ALDH1A1 (0.44) ALDH1A1TDP1LMNATRPA1CHRM1
SCHEMBL598624 0.80 LMNA (0.54) ALDH1A1TDP1LMNATRPA1CHRM1
SCHEMBL30165955 0.80 LMNA (0.54) ALDH1A1TDP1LMNATRPA1CHRM1
SCHEMBL16959507 0.79 TRPA1 (0.54) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL27817525 0.79 TDP1 (0.39) ALDH1A1TDP1LMNATRPA1CHRM1
SCHEMBL28136997 0.78 LMNA (0.52) ALDH1A1TDP1LMNATRPA1CHRM1
SCHEMBL18287889 0.78 ALDH1A1 (0.42) ALDH1A1TDP1LMNATRPA1CHRM1
SCHEMBL16954242 0.77 KCNH2 (0.41) ALDH1A1TDP1LMNATRPA1CHRM1
SCHEMBL16956101 0.77 CYP3A4 (0.45) ALDH1A1TDP1LMNAHTR2BKMT2A

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2006-06-08 US claimed
US-20050288336-A1 Cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-12-29 US claimed
EP-1569954-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-09-07 EP claimed
EP-1503997-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-02-09 EP claimed
WO-2004052921-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-24 WO claimed
WO-2003097617-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-11-27 WO claimed
US-20140275463-A1 ORGANOSILICON COMPOUND AND PRODUCTION PROCESS FOR THE SAME, AND POLYSILOXANE AND PRODUCTION PROCESS FOR THE SAME CHISSO PETROCHEMICAL CORPORATION (JP) 2014-09-18 US disclosed
EP-1548020-B1 SILICON COMPOUND JNC CORP (JP) 2014-07-23 EP disclosed
US-8367792-B2 Polysiloxane compound and method of producing the same JNC CORPORATION (JP) 2013-02-05 US disclosed
US-20120208973-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME OOTAKE NOBUMASA (JP) 2012-08-16 US disclosed
EP-1550664-B1 SILICON COMPOUND JNC CORP (JP) 2012-06-27 EP disclosed
US-8173758-B2 Polysiloxane compound and method of producing the same JNC CORPORATION (JP) 2012-05-08 US disclosed
US-20110178313-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME OOTAKE NOBUMASA 2011-07-21 US disclosed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 US disclosed
WO-2004052921-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-24 WO disclosed
EP-1428795-A1 SILSESQUIOXANE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF CHISSO CORPORATION (JP) 2004-06-16 EP disclosed
US-20040068074-A1 Production process for silsesquioxane derivative having functional group and silsesquioxane derivative JNC CORPORATION (JP) 2004-04-08 US disclosed
US-20040030084-A1 Production process for silsesquioxane derivative and silsesquioxane derivative JNC CORPORATION (JP) 2004-02-12 US disclosed
WO-2004000838-A1 PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-12-31 WO disclosed
WO-2003097617-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-11-27 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 (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-20110178313-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME RPS4X, POLR2A, MSL1 ALDH1A1 2302/4885TDP1 3092/4885LMNA 1175/4885
US-20140275463-A1 ORGANOSILICON COMPOUND AND PRODUCTION PROCESS FOR THE SAME, AND POLYSILOXANE AND PRODUCTION PROCESS FOR THE SAME PIEZO1, PFAS, MCM6 ALDH1A1 1255/4885TDP1 3068/4885LMNA 3698/4885
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors CTSF, CTSB, CTSK ALDH1A1 3662/4885TDP1 3685/4885LMNA 1636/4885
US-20050288336-A1 Cysteine protease inhibitors CTSF, CTSS, CTSB ALDH1A1 2872/4885TDP1 3832/4885LMNA 2275/4885
US-20120208973-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME RPS4X, POLR2A, MSL1 ALDH1A1 2302/4885TDP1 3092/4885LMNA 1175/4885
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS ALDH1A1 3804/4885TDP1 3978/4885LMNA 1983/4885

“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.