SCHEMBL1537537

SCHEMBL1537537

CCOC(=O)c1ccc(-c2ccc(C=O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
KDM4E B2RXH2 2/20 0.60
MAPT P10636 2/20 0.60
HSP90AA1 P07900 2/20 0.60
ALDH1A1 P00352 3/20 0.58
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA14 Q9ULX7 2/20 0.58
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
CYP1A2 P05177 2/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAOA P21397 1/20 0.56
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL10967063 0.95 NPC1 (0.56) NPC1RAB9AKDM4EMAPTHSP90AA1
SCHEMBL528212 0.95 CA1 (0.63) NPC1RAB9AKDM4EMAPTHSP90AA1
SCHEMBL10702295 0.90 CA12 (0.58) NPC1RAB9AKDM4EMAPTHSP90AA1
SCHEMBL10702293 0.90 CA12 (0.58) NPC1RAB9AKDM4EMAPTHSP90AA1
SCHEMBL1965326 0.87 CA1 (0.73) NPC1RAB9AKDM4EMAPTHSP90AA1
SCHEMBL16351874 0.87 CA1 (0.73) NPC1RAB9AKDM4EMAPTHSP90AA1
SCHEMBL8016724 0.87 PARP10 (0.58) NPC1RAB9AKDM4EMAPTHSP90AA1
SCHEMBL14714526 0.85 CA1 (0.53) NPC1RAB9AKDM4EMAPTHSP90AA1
SCHEMBL9129031 0.85 CA12 (0.56) NPC1RAB9AKDM4EMAPTHSP90AA1
SCHEMBL5943767 0.85 TRIM24 (0.61) NPC1RAB9AKDM4EMAPTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072677-A1 NOVEL HYDROXAMIC ACID DERIVATIVE TOYAMA CHEMICAL CO., LTD. (JP) 2013-03-21 US disclosed
US-20110064694-A1 ANTI-HEPATITIS C ACTIVITY OF MESO-TETRAKIS-PORPHYRIN ANALOGUES YALE UNIVERSITY (US) 2011-03-17 US disclosed
US-20110064694-A1 ANTI-HEPATITIS C ACTIVITY OF MESO-TETRAKIS-PORPHYRIN ANALOGUES YALE UNIVERSITY (US) 2011-03-17 US disclosed
US-20100190107-A1 CYCLIC COMPOUND, PHOTORESIST BASE MATERIAL AND PHOTORESIST COMPOSITION IDEMITSU KOSAN CO. LTD (JP) 2010-07-29 US disclosed
US-20100190107-A1 CYCLIC COMPOUND, PHOTORESIST BASE MATERIAL AND PHOTORESIST COMPOSITION IDEMITSU KOSAN CO. LTD (JP) 2010-07-29 US disclosed
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed
US-4016195-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed
US-3957846-A OPTICAL BRIGHTENERS, LACQUERS, SYNTHETIC FIBERS HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-18 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 (3 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-20100190107-A1 CYCLIC COMPOUND, PHOTORESIST BASE MATERIAL AND PHOTORESIST COMPOSITION CRY1, PCNA, ERCC4 NPC1 1558/4885RAB9A 1456/4885KDM4E 3997/4885
US-20110064694-A1 ANTI-HEPATITIS C ACTIVITY OF MESO-TETRAKIS-PORPHYRIN ANALOGUES HAVCR2, HCCS, HMBS NPC1 1003/4885RAB9A 2902/4885KDM4E 4341/4885
US-20130072677-A1 NOVEL HYDROXAMIC ACID DERIVATIVE LCT, AGXT, HDAC9 NPC1 3272/4885RAB9A 2523/4885KDM4E 1415/4885

“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.