SCHEMBL6469327

SCHEMBL6469327

COc1ccccc1N.[NaH]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.95
TDP1 Q9NUW8 2/20 0.95
ADRA2B P18089 1/20 0.95
PTGS1 P23219 1/20 0.95
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA7 P43166 2/20 0.60
CA9 Q16790 2/20 0.60
CA12 O43570 1/20 0.60
CA4 P22748 1/20 0.60
CA14 Q9ULX7 1/20 0.60
IDO1 P14902 1/20 0.52
CYP3A4 P08684 4/20 0.50
TSHR P16473 3/20 0.50
EP300 Q09472 1/20 0.50
KAT8 Q9H7Z6 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL29390378 0.97
SCHEMBL14598 0.97
SCHEMBL30366767 0.95 ALDH1A1 (0.95) ALDH1A1TDP1ADRA2BPTGS1CA1
SCHEMBL21840888 0.95 ALDH1A1 (0.95) ALDH1A1TDP1ADRA2BPTGS1CA1
Hydrochloric Acid SCHEMBL30727463 0.95 ALDH1A1 (0.95) ALDH1A1TDP1ADRA2BPTGS1CA1
Hydrochloric Acid SCHEMBL892262 0.95 ALDH1A1 (0.95) ALDH1A1TDP1ADRA2BPTGS1CA1
SCHEMBL7772203 0.95 ALDH1A1 (0.95) ALDH1A1TDP1ADRA2BPTGS1CA1
SCHEMBL357940 0.95 ALDH1A1 (0.95) ALDH1A1TDP1ADRA2BPTGS1CA1
Iodide SCHEMBL28354404 0.95 ALDH1A1 (0.95) ALDH1A1TDP1ADRA2BPTGS1CA1
Hydrochloric Acid SCHEMBL4374714 0.95 ALDH1A1 (0.95) ALDH1A1TDP1ADRA2BPTGS1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884857-B1 Olefin polymerization process using supported constrained geometry catalysts THE DOW CHEMICAL COMPANY (US) 2005-04-26 US disclosed
US-6858557-B1 Supported constrained geometry olefin polymerization catalysts THE DOW CHEMICAL COMPANY (US) 2005-02-22 US disclosed
US-6806326-B2 TITANIUM COMPLEXES WITH DELOCALIZED PI-BONDED CYCLOPENTADIENYL MOIETY, AND COCATALYST; FOR EXAMPLE, 1-(TERT-BUTYLAMIDO)-2-(TETRAMETHYLCYCLOPENTADIENYL)-ETHANEDIYL TITANIUM DICHLORIDE AND METHYL ALUMOXANE THE DOW CHEMICAL COMPANY 2004-10-19 US disclosed
US-6686488-B2 USING COORDINATION POLYMERIZATION CATALYSTS THE DOW CHEMICAL COMPANY 2004-02-03 US disclosed
US-6670432-B1 Metal is bound to a delocalized substituted pi-bonded moiety (cyclopentadiene) to induce a constrained geometry about the metal; ethylene-styrene copolymer THE DOW CHEMICAL COMPANY 2003-12-30 US disclosed
US-20030065203-A1 Constrained geometry addition polymerization catalysts WILSON DAVID R (US) 2003-04-03 US disclosed
US-20020128403-A1 Constrained geometry addition polymerization catalysts STEVENS JAMES C (US) 2002-09-12 US disclosed
US-6075077-A ETHYLENE COPOLYMER PREPARED USING A CYCLOPENTADIENE COORDINATION COMPLEX OF GIVEN FORMULA WHERE METAL IS BOUND TO A DELOCALIZED SUBSTITUTED PI-BONDED MOIETY TO INDUCE A CONSTRAINED GEOMETRY ABOUT THE METAL, AND COCATALYST THE DOW CHEMICAL COMPANY (US) 2000-06-13 US disclosed
US-6013819-A AS POLYMERIZATION CATALYSTS FOR PRODUCING ADDITION POLYMERS THE DOW CHEMICAL COMPANY (US) 2000-01-11 US disclosed
US-5703187-A ETHYLENICALLY UNSATURATED ADDITION POLYMERS THE DOW CHEMICAL COMPANY (US) 1997-12-30 US disclosed
EP-0563365-B1 PREPARATION OF METAL COORDINATION COMPLEX DOW CHEMICAL CO (US) 1997-11-05 EP disclosed
EP-0416815-B1 Constrained geometry addition polymerization catalysts, processes for their preparation, precursors therefor, methods of use, and novel polymers formed therewith DOW CHEMICAL CO (US) 1997-08-13 EP disclosed
EP-0774468-A2 Constrained geometry addition polymerization catalysts, processes for their preparation, precursors therefor, methods of use, and novel polymers formed therewith THE DOW CHEMICAL COMPANY (US) 1997-05-21 EP disclosed
EP-0765888-A2 Polymers obtainable with a constrained geometry addition polymerization catalyst and process of making atactic alpha-olefin polymers with such catalysts THE DOW CHEMICAL COMPANY (US) 1997-04-02 EP disclosed
EP-0764654-A2 Constrained geometry addition polymerization catalysts, processes for their preparation, precursors therefor, methods of use, and novel polymers formed therewith THE DOW CHEMICAL COMPANY (US) 1997-03-26 EP disclosed
EP-0764664-A2 Constrained geometry addition polymerization catalysts, processes for their preparation, precursors therefor, methods of use, and novel polymers formed therewith THE DOW CHEMICAL COMPANY (US) 1997-03-26 EP disclosed
EP-0764653-A2 Constrained geometry addition polymerization catalysts, processes for their preparation, precursors therefor, methods of use, and novel polymers formed therewith THE DOW CHEMICAL COMPANY (US) 1997-03-26 EP disclosed
EP-0563365-A1 PREPARATION OF METAL COORDINATION COMPLEX THE DOW CHEMICAL COMPANY (US) 1993-10-06 EP disclosed
WO-1993008199-A1 PREPARATION OF METAL COORDINATION COMPLEX THE DOW CHEMICAL COMPANY (US) 1993-04-29 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 (1 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-20030065203-A1 Constrained geometry addition polymerization catalysts CPSF6, CPSF1, PICALM ALDH1A1 3340/4885TDP1 3925/4885ADRA2B 4829/4885

“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.