SCHEMBL1900915

SCHEMBL1900915

N[C@H](C1CCCCC1)[C@H](N)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.48
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SHBG P04278 1/20 0.41
DPP4 P27487 2/20 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
SCHEMBL1900865 1.00 EPHX1 (0.48) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL646456 1.00 EPHX1 (0.48) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL29257688 1.00 EPHX1 (0.48) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL2067136 1.00 EPHX1 (0.48) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL3293988 1.00 EPHX1 (0.48) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL13416816 0.82 EPHX1 (0.40) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL16316581 0.82 EPHX1 (0.40) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL5509761 0.82 EPHX1 (0.40) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL19538503 0.82 TP53 (0.48) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL14299180 0.82 EPHX1 (0.40) EPHX1TP53KDM4EGMNNLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239988-A Preparation method and application of heterochiral binuclear Ir (III) metal-organic double-helix structure compound 大连理工大学 2024-06-25 CN claimed
CN-114437136-B Preparation method and application of thiourea functionalized multi-chiral binuclear Ir (III) metal-organic double helix structure 大连理工大学 2023-06-27 CN claimed
CN-119119087-A Chiral binuclear copper complex with benzo [ c ] cinnoline skeleton and preparation method thereof 中国科学院上海有机化学研究所 2024-12-13 CN disclosed
CN-118239988-A Preparation method and application of heterochiral binuclear Ir (III) metal-organic double-helix structure compound 大连理工大学 2024-06-25 CN disclosed
US-9108918-B2 Process for preparing 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1(R)-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one via a novel intermediate ALMIRALL, S.A. (ES) 2015-08-18 US disclosed
US-9108918-B2 Process for preparing 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1(R)-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one via a novel intermediate ALMIRALL, S.A. (ES) 2015-08-18 US disclosed
US-20150011769-A1 PROCESS FOR PREPARING 5-(2--1(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE VIA A NOVEL INTERMEDIATE ALMIRALL, S.A. (ES) 2015-01-08 US disclosed
US-20150011769-A1 PROCESS FOR PREPARING 5-(2--1(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE VIA A NOVEL INTERMEDIATE ALMIRALL, S.A. (ES) 2015-01-08 US disclosed
WO-2013050375-A1 PROCESS FOR PREPARING 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL]AMINO}-1(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE VIA A NOVEL INTERMEDIATE ALMIRALL, S.A. (ES) 2013-04-11 WO disclosed
EP-1661903-B1 NOVEL TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL WITH THE COMPLEX TAKASAGO PERFUMERY CO LTD (JP) 2011-05-11 EP disclosed
US-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-7473793-B2 Transition metal (rhodium or ruthenium) complex of a bis(diaryl- or dialicyclylphosphinoaryl) compound and an optionally substituted 1,2-diphenylethylenediamine; hydrogenation catalysts for forming an assymetric alcohol from an assymetric ketone; high optical purity and high yield TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-01-06 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
US-20060142603-A1 Transition metal (rhodium or ruthenium) complex of a bis(diaryl- or dialicyclylphosphinoaryl) compound and an optionally substituted 1,2-diphenylethylenediamine; hydrogenation catalysts for forming an assymetric alcohol from an assymetric ketone; high optical purity and high yield TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-06-29 US disclosed
EP-1661903-A1 NOVEL TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL WITH THE COMPLEX Takasago International Corporation (JP) 2006-05-31 EP 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-20150011769-A1 PROCESS FOR PREPARING 5-(2--1(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE VIA A NOVEL INTERMEDIATE UGT1A8, UGT1A1, UGT8 EPHX1 219/4885TP53 4227/4885KDM4E 1691/4885
US-20070142639-A1 Process for production of amines SMS, CCNT1, PEAK1 EPHX1 1098/4885TP53 3844/4885KDM4E 1975/4885
US-20060142603-A1 Transition metal (rhodium or ruthenium) complex of a bis(diaryl- or dialicyclylphosphinoaryl) compound and an optionally substituted 1,2-diphenylethylenediamine; hydrogenation catalysts for forming an assymetric alcohol from an assymetric ketone; high optical purity and high yield ADH1A, ADH5, ADH1C EPHX1 3628/4885TP53 3994/4885KDM4E 586/4885

“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.