SCHEMBL33021

SCHEMBL33021

[C](NC1CCCCC1)NC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 1/20 0.50
EPHX1 P07099 5/20 0.39
CYP3A4 P08684 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA1 P00915 2/20 0.39
ADH1B P00325 2/20 0.39
ADH1C P00326 2/20 0.39
ADH1A P07327 2/20 0.39
CA12 O43570 2/20 0.39
CA7 P43166 2/20 0.39
CA14 Q9ULX7 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ADH4 P08319 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
EPHX2 P34913 1/20 0.39
CA2 P00918 1/20 0.36

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
SCHEMBL245390 0.75 ALDH1A1 (0.45) ALDH1A1HSD17B10EPHX1CYP3A4NPC1
SCHEMBL132393 0.75
SCHEMBL1678761 0.75 ALDH1A1 (0.45) ALDH1A1HSD17B10EPHX1CYP3A4NPC1
SCHEMBL1973161 0.75
SCHEMBL9206593 0.75 ALDH1A1 (0.45) ALDH1A1HSD17B10EPHX1CYP3A4NPC1
SCHEMBL1171678 0.75
SCHEMBL2109467 0.75 ALDH1A1 (0.45) ALDH1A1HSD17B10EPHX1CYP3A4NPC1
SCHEMBL26145 0.75
SCHEMBL13060365 0.75 ALDH1A1 (0.45) ALDH1A1HSD17B10EPHX1CYP3A4NPC1
SCHEMBL1797041 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011522957-A 2011-08-04 JP claimed
EP-2288637-A1 METHYLENE BIS(CYCLOHEXYLAMINE)-INITIATED POLYOLS AND RIGID POLYURETHANE FOAM MADE THEREFORM Dow Global Technologies Inc. (US) 2011-03-02 EP claimed
WO-2009152045-A1 METHYLENE BIS(CYCLOHEXYLAMINE)-INITIATED POLYOLS AND RIGID POLYURETHANE FOAM MADE THEREFORM DOW GLOBAL TECHNOLOGIES INC. (US) 2009-12-17 WO claimed
EP-0005318-A1 N-Heterocyclyl-4-piperidinamines, methods for their preparation, pharmaceutical compositions comprising them, intermediates therefor, and method for the preparation of the intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-14 EP claimed
US-9968683-B2 Method for conjugating molecules ORGANOLINX CORP. (CA) 2018-05-15 US disclosed
US-20160206748-A1 METHOD FOR CONJUGATING MOLECULES ORGANOLINX CORP. (CA) 2016-07-21 US disclosed
US-8569267-B2 Tetracyclic tetrahydrofuran derivatives containing cyclic amine side chain JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
US-8343988-B2 Inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V (BE) 2013-01-01 US disclosed
US-8268833-B2 Inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2012-09-18 US disclosed
US-8247432-B2 Tripeptidyl peptidase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-21 US disclosed
US-20110224255-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS BRESLIN HENRY JOSEPH 2011-09-15 US disclosed
EP-1485353-B1 NEW INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2011-08-24 EP disclosed
US-4232034-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1980-11-04 US disclosed
US-4229581-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-10-21 US disclosed
US-4229460-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-10-21 US disclosed
US-4223036-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-09-16 US disclosed
US-4219559-A N-Heterocyclyl-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1980-08-26 US disclosed
US-4181670-A Phenyl 5Z,8Z,11Z,14Z-eicosatetraenoate and congeners G. D. SEARLE & CO. (US) 1980-01-01 US disclosed
US-4160841-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1979-07-10 US disclosed
US-4144346-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1979-03-13 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 (2 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-20160206748-A1 METHOD FOR CONJUGATING MOLECULES AADAC, DDT, ALDH3A1 ALDH1A1 13/4885HSD17B10 1272/4885EPHX1 1665/4885
US-20110224255-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS CCKAR, CCKBR, VIP ALDH1A1 3045/4885HSD17B10 2109/4885EPHX1 2246/4885

“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.