SCHEMBL4574153

SCHEMBL4574153

[CH]([CH]COCc1ccccc1)COCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
CA1 P00915 4/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
ALOX5 P09917 1/20 0.44
TACR1 P25103 2/20 0.42
HTT P42858 1/20 0.41
SLC1A1 P43005 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5755068 0.87 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL1989382 0.87 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL1524101 0.85 TSHR (0.67) TSHRCA1CA2CA7CA9
SCHEMBL1524411 0.85 TSHR (0.67) TSHRCA1CA2CA7CA9
SCHEMBL1524098 0.85 TSHR (0.67) TSHRCA1CA2CA7CA9
SCHEMBL6941005 0.85 TSHR (0.67) TSHRCA1CA2CA7CA9
Ammonia Solution, Strong SCHEMBL7095980 0.83 TSHR (0.64) TSHRCA1CA2CA7CA9
SCHEMBL798003 0.81 TSHR (0.61) TSHRCA1CA2CA7CA9
SCHEMBL2674841 0.81 TSHR (0.61) TSHRCA1CA2CA7CA9
SCHEMBL20953940 0.81 TSHR (0.61) TSHRCA1CA2CA7CA9

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319084-B2 Catalysts containing N-pyrrolyl substituted nitrogen donors E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-15 US disclosed
US-20060178490-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors E. I. DU PONT DE NEMOURS AND COMPANY 2006-08-10 US disclosed
US-7056996-B2 Productivity catalysts and microstructure control E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-06-06 US disclosed
US-6946532-B2 Catalysts containing per-ortho aryl substituted aryl or heteroaryl substituted nitrogen donors EASTMAN CHEMICAL COMPANY (US) 2005-09-20 US disclosed
US-20050090381-A1 Catalysts containing per-ortho aryl substituted aryl or heteroaryl substituted nitrogen donors EASTMAN CHEMICAL COMPANY (US) 2005-04-28 US disclosed
US-20050090630-A1 Supported group 8-10 transition metal olefin polymerization catalysts EASTMAN CHEMICAL COMPANY (US) 2005-04-28 US disclosed
US-20050054856-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors EASTMAN CHEMICAL COMPANY (US) 2005-03-10 US disclosed
US-6844446-B2 Catalysts containing per-ortho aryl substituted aryl or heteroaryl substituted nitrogen donors EASTMAN CHEMICAL COMPANY (US) 2005-01-18 US disclosed
US-6844404-B2 Catalyst compositions for the polymerization of olefins EASTMAN CHEMICAL COMPANY (US) 2005-01-18 US disclosed
US-6825356-B2 REMAINING DONOR ATOMS OF THE LIGAND ARE SELECTED FROM THE GROUP CONSISTING OF C, N, P, AS, O, S, AND SE EASTMAN CHEMICAL COMPANY 2004-11-30 US disclosed
WO-2001083571-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2001-11-08 WO disclosed
US-6303720-B1 E.G., NICKEL COMPLEX OF 2,3-BIS(2,6-DIMETHYLPHENYLIMINO)-(1,4)-DITHIANE EASTMAN CHEMICAL COMPANY 2001-10-16 US disclosed
US-20010025007-A1 Catalyst compositions for the polymerization of olefins E. I. DU PONT DE NEMOURS AND COMPANY 2001-09-27 US disclosed
US-6281303-B1 TRANSITION METAL COMPLEX EASTMAN CHEMICAL COMPANY 2001-08-28 US disclosed
US-6200925-B1 AS POLYMERIZATION CATALYST EASTMAN CHEMICAL COMPANY 2001-03-13 US disclosed
US-6174976-B1 BATCH OR CONTINUOUS PROCESSING FOR OLEFIN POLYMERIZATION WITH NICKEL CATALYSTS EASTMAN CHEMICAL COMPANY 2001-01-16 US disclosed
WO-2000050470-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2000-08-31 WO disclosed
US-6103658-A Olefin polymerization catalysts containing group 8-10 transition metals, processes employing such catalysts and polymers obtained therefrom EASTMAN CHEMICAL COMPANY (US) 2000-08-15 US disclosed
EP-0966490-A2 CATALYST COMPOSITIONS FOR THE POLYMERIZATION OF OLEFINS EASTMAN CHEMICAL COMPANY (US) 1999-12-29 EP disclosed
WO-1998040420-A2 CATALYST COMPOSITIONS FOR THE POLYMERIZATION OF OLEFINS EASTMAN CHEMICAL COMPANY (US) 1998-09-17 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 (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-20060178490-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors NCL, NSFL1C, NCLN TSHR 4856/4885CA1 4579/4885CA2 4776/4885
US-20050054856-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors NCL, NSFL1C, NCLN TSHR 4856/4885CA1 4579/4885CA2 4776/4885
US-20050090381-A1 Catalysts containing per-ortho aryl substituted aryl or heteroaryl substituted nitrogen donors NOX3, AHR, POF1B TSHR 4248/4885CA1 4624/4885CA2 4311/4885

“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.