SCHEMBL305384

SCHEMBL305384

CN(C)C(=Cc1ccccc1)c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.50
CYP11B2 P19099 2/20 0.50
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
PLOD2 O00469 1/20 0.42
PLOD3 O60568 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
PLOD1 Q02809 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
G6PC1 P35575 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
Hydrochloric Acid SCHEMBL9803951 0.98 CYP19A1 (0.49) CYP19A1CYP11B2KMT2AKDM4EPLOD2
SCHEMBL7904469 0.87 ESR1 (0.45) KMT2AALDH1A1CYP2D6MAPTMEN1
SCHEMBL2845203 0.87 AKR1C1 (0.45) KMT2AALDH1A1CYP2D6MAPTMEN1
SCHEMBL9804059 0.83 CYP19A1 (0.47) CYP19A1CYP11B2KMT2AKDM4EPLOD2
SCHEMBL4199808 0.80 ESR1 (0.58) CYP19A1KMT2ACYP3A4CYP2D6TDP1
SCHEMBL7944757 0.77 ALDH1A1 (0.48) KMT2AALDH1A1CYP2D6MAPTMEN1
SCHEMBL28255319 0.76 CYP19A1 (0.55) CYP19A1CYP11B2KMT2AKDM4EPLOD2
SCHEMBL2992588 0.74 LCK (0.41) KMT2AALDH1A1HPGDMAPTMEN1
SCHEMBL4255052 0.74 NPC1 (0.53) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL2992590 0.74 LCK (0.41) KMT2AALDH1A1HPGDMAPTMEN1

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-1814854-B1 CATIONIC CERAMIDES, AND ANALOGS THEREOF, AND THEIR USE FOR PREVENTING OR TREATING CANCER MUSC FOUND FOR RES DEV (US) 2015-02-25 EP disclosed
US-8093393-B2 Cationic ceramides, and analogs thereof, and their use for preventing or treating cancer MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-01-10 US disclosed
US-20110071099-A1 Cationic Ceramides, And Analogs Thereof, And Their Use For Preventing Or Treating Cancer MUSC FOUNDATION FOR RESEARCH DEVELOPMENT 2011-03-24 US disclosed
EP-1814854-A4 CATIONIC CERAMIDES, AND ANALOGS THEREOF, AND THEIR USE FOR PREVENTING OR TREATING CANCER MUSC FOUND FOR RES DEV (US) 2009-08-05 EP disclosed
EP-1814854-A1 CATIONIC CERAMIDES, AND ANALOGS THEREOF, AND THEIR USE FOR PREVENTING OR TREATING CANCER MUSC Foundation For Research Development (US) 2007-08-08 EP disclosed
WO-2006050264-A1 CATIONIC CERAMIDES, AND ANALOGS THEREOF, AND THEIR USE FOR PREVENTING OR TREATING CANCER MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2006-05-11 WO disclosed
EP-0828867-B1 METHOD AND APPARATUS USING ORGANIC VAPOR PHASE DEPOSITION FOR THE GROWTH OF ORGANIC THIN FILMS WITH LARGE OPTICAL NON-LINEARITIES UNIV PRINCETON (US) 2003-01-08 EP disclosed
EP-0828867-A4 METHOD AND APPARATUS USING ORGANIC VAPOR PHASE DEPOSITION FOR THE GROWTH OF ORGANIC THIN FILMS WITH LARGE OPTICAL NON-LINEARITIES UNIV PRINCETON (US) 1999-10-27 EP disclosed
EP-0828867-A2 METHOD AND APPARATUS USING ORGANIC VAPOR PHASE DEPOSITION FOR THE GROWTH OF ORGANIC THIN FILMS WITH LARGE OPTICAL NON-LINEARITIES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1998-03-18 EP disclosed
WO-1996041173-A1 NANOPARTICLES IMPRINTED WITH RECOGNITION SITES FOR TARGET MOLECULES MARTINEX R & D INC. (CA) 1996-12-19 WO disclosed
WO-1996037639-A2 METHOD AND APPARATUS USING ORGANIC VAPOR PHASE DEPOSITION FOR THE GROWTH OF ORGANIC THIN FILMS WITH LARGE OPTICAL NON-LINEARITIES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1996-11-28 WO disclosed
US-5554220-A Method and apparatus using organic vapor phase deposition for the growth of organic thin films with large optical non-linearities THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1996-09-10 US disclosed
US-4987056-A IMPROVED SENSITIVITY TO VISIBLE LIGHT TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-01-22 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 (1 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-20110071099-A1 Cationic Ceramides, And Analogs Thereof, And Their Use For Preventing Or Treating Cancer CERS2, CERT1, SGMS1 CYP19A1 4460/4885CYP11B2 652/4885KMT2A 4686/4885

“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.