SCHEMBL4955366

SCHEMBL4955366

C1=CCc2ccccc2C=1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
TSHR P16473 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL15466839 0.79 CA1 (0.37) CA1CA2
SCHEMBL8613537 0.68 CA1 (0.39) CA1CA2
Indene SCHEMBL1162574 0.67
SCHEMBL29595470 0.67
SCHEMBL9178868 0.67
SCHEMBL8700 0.66
SCHEMBL29539 0.65
SCHEMBL5605661 0.65
SCHEMBL8343541 0.63 TRPA1 (0.34) TSHRPARP1
SCHEMBL20528826 0.63 TRPA1 (0.34) TSHRPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2861559-B1 METHOD AND CATALYST FOR SYNTHESISING AZIRIDINE UNIV OF EAST ANGLIA (GB) 2020-09-16 EP disclosed
US-10259784-B2 Method and catalyst for synthesising aziridine UNIVERSITY OF EAST ANGLIA (GB) 2019-04-16 US disclosed
US-20170342030-A1 METHOD AND CATALYST FOR SYNTHESISING AZIRIDINE UNIV OF EAST ANGLIA (GB) 2017-11-30 US disclosed
US-9732034-B2 Method and catalyst for synthesising aziridine UNIVERSITY OF EAST ANGLIA (GB) 2017-08-15 US disclosed
US-20170152225-A9 METHOD AND CATALYST FOR SYNTHESISING AZIRIDINE UNIVERSITY OF EAST ANGLIA (GB) 2017-06-01 US disclosed
US-20150166478-A1 METHOD AND CATALYST FOR SYNTHESISING AZIRIDINE UNIV EAST ANGLIA (GB) 2015-06-18 US disclosed
EP-2861559-A1 METHOD AND CATALYST FOR SYNTHESISING AZIRIDINE University of East Anglia (GB) 2015-04-22 EP disclosed
WO-2013179052-A1 METHOD AND CATALYST FOR SYNTHESISING AZIRIDINE UNIVERSITY OF EAST ANGLIA (GB) 2013-12-05 WO disclosed
US-20080076700-A1 Method for the Preparation of Oxime, Thiazolidine, Dithiane, Dithiolane, or Hydrazone Linked Analogues of Growth Hormone NOVO NORDISK A/S (DK) 2008-03-27 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 (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-20150166478-A1 METHOD AND CATALYST FOR SYNTHESISING AZIRIDINE ITPA, PPA1, PPIP5K2 CA1 1910/4885CA2 814/4885TSHR 1503/4885
US-10259784-B2 Method and catalyst for synthesising aziridine ITPA, PPA1, PPIP5K2 CA1 1833/4885CA2 771/4885TSHR 1511/4885
US-20170342030-A1 METHOD AND CATALYST FOR SYNTHESISING AZIRIDINE ITPA, PPA1, PPIP5K2 CA1 1833/4885CA2 771/4885TSHR 1511/4885
US-20170152225-A9 METHOD AND CATALYST FOR SYNTHESISING AZIRIDINE ITPA, PPA1, PPIP5K2 CA1 1910/4885CA2 814/4885TSHR 1503/4885
US-20080076700-A1 Method for the Preparation of Oxime, Thiazolidine, Dithiane, Dithiolane, or Hydrazone Linked Analogues of Growth Hormone THOP1, GHRHR, SHBG CA1 459/4885CA2 642/4885TSHR 8/4885

“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.