SCHEMBL8731553

SCHEMBL8731553

S=C(NCc1ccccc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 4/20 0.59
ALDH1A1 P00352 4/20 0.59
HPGD P15428 2/20 0.59
GAA P10253 3/20 0.57
MAPT P10636 3/20 0.57
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
KMT2A Q03164 1/20 0.57
CA12 O43570 3/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA9 Q16790 3/20 0.55
IDO1 P14902 1/20 0.55
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
ALPL P05186 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAOA P21397 1/20 0.50

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
SCHEMBL7899327 0.98 ALOX12 (0.57) ALOX12ALDH1A1HPGDGAAMAPT
SCHEMBL11818238 0.98 ALOX12 (0.57) ALOX12ALDH1A1HPGDGAAMAPT
SCHEMBL3068928 0.82 ALOX12 (0.65) ALOX12ALDH1A1HPGDGAAMAPT
SCHEMBL3072835 0.82 CA12 (0.59) ALOX12ALDH1A1HPGDMEN1KMT2A
SCHEMBL20022983 0.79 ALDH1A1 (0.53) ALOX12ALDH1A1HPGDGAAMAPT
SCHEMBL9153056 0.79 GAA (0.50) ALOX12ALDH1A1HPGDGAAMAPT
SCHEMBL3068669 0.78 CA12 (0.55) ALOX12ALDH1A1HPGDMEN1POLB
SCHEMBL2240540 0.78 CA12 (0.55) ALDH1A1GAAKMT2ACA12CA1
SCHEMBL24487049 0.78 CA1 (0.46) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL3068672 0.77 ALDH1A1 (0.55) ALDH1A1POLBKMT2ACA12CA1

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-10092579-B2 Gold(I) complexes with anticancer properties and methods of use thereof KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2018-10-09 US disclosed
US-20170232012-A1 GOLD(I) COMPLEXES WITH ANTICANCER PROPERTIES AND METHODS OF USE THEREOF KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2017-08-17 US disclosed
US-20170197997-A1 GOLD(I) COMPLEXES WITH ANTICANCER PROPERTIES AND METHODS OF USE THEREOF KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2017-07-13 US disclosed
US-9573967-B2 N-heterocyclic carbene gold complexes with anticancer properties and methods of use thereof KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2017-02-21 US disclosed
US-20160326187-A1 N-HETEROCYCLIC CARBENE GOLD COMPLEXES WITH ANTICANCER PROPERTIES AND METHODS OF USE THEREOF KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2016-11-10 US disclosed
US-9278905-B2 Production method for compound comprising amino group and/or hydroxyl group KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-03-08 US disclosed
US-9278905-B2 Production method for compound comprising amino group and/or hydroxyl group KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-03-08 US disclosed
US-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2015-04-16 US disclosed
US-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2015-04-16 US disclosed
EP-2821389-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP Kyushu University, National University Corporation (JP) 2015-01-07 EP disclosed
EP-0873375-A1 USE OF A COMBINATION OF SILICONE COMPOUNDS AS A COUPLING AGENT IN SILICA-LOADED ELASTOMER COMPOSITIONS RHODIA CHIMIE (FR) 1998-10-28 EP disclosed
WO-1997025374-A1 USE OF A COMBINATION OF SILICONE COMPOUNDS AS A COUPLING AGENT IN SILICA-LOADED ELASTOMER COMPOSITIONS RHODIA CHIMIE (FR) 1997-07-17 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 (5 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-10092579-B2 Gold(I) complexes with anticancer properties and methods of use thereof MCL1, BAD, TP53 ALOX12 4150/4885ALDH1A1 1409/4885HPGD 2966/4885
US-20170232012-A1 GOLD(I) COMPLEXES WITH ANTICANCER PROPERTIES AND METHODS OF USE THEREOF MCL1, BAD, TP53 ALOX12 4150/4885ALDH1A1 1409/4885HPGD 2966/4885
US-20160326187-A1 N-HETEROCYCLIC CARBENE GOLD COMPLEXES WITH ANTICANCER PROPERTIES AND METHODS OF USE THEREOF MCL1, HCCS, ACIN1 ALOX12 2085/4885ALDH1A1 1094/4885HPGD 522/4885
US-20170197997-A1 GOLD(I) COMPLEXES WITH ANTICANCER PROPERTIES AND METHODS OF USE THEREOF MCL1, BAD, TP53 ALOX12 4150/4885ALDH1A1 1409/4885HPGD 2966/4885
US-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP CA7, DAO, CA4 ALOX12 1925/4885ALDH1A1 732/4885HPGD 264/4885

“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.