SCHEMBL5873304

SCHEMBL5873304

CC(C)(C)c1ccc(-c2[c]c(-c3ccc(C(C)(C)C)cc3)cc(-c3ccccc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.44
DHODH Q02127 1/20 0.43
HSD17B2 P37059 1/20 0.40
RXRA P19793 4/20 0.40
RXRB P28702 4/20 0.40
RXRG P48443 2/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
CYP19A1 P11511 2/20 0.38
ASIC1 P78348 1/20 0.37
CYP2C9 P11712 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL4648856 0.84 RXRA (0.41) KIF11RXRARXRBRXRGCYP2C9
SCHEMBL28102065 0.84 DHODH (0.54) KIF11DHODHHSD17B2RXRARXRB
SCHEMBL26771321 0.84 DHODH (0.54) KIF11DHODHHSD17B2RXRARXRB
SCHEMBL5873284 0.84 ALDH1A1 (0.47) KIF11DHODHALOX5
SCHEMBL3421942 0.82 KIF11 (0.59) KIF11DHODHHSD17B2RXRARXRB
SCHEMBL128222 0.82 KIF11 (0.59) KIF11DHODHHSD17B2RXRARXRB
SCHEMBL456946 0.82 ALDH1A1 (0.50) CYP19A1ALOX5
SCHEMBL27957889 0.81 KIF11 (0.41) KIF11DHODHHSD17B2RXRARXRB
SCHEMBL5873300 0.80 AKR1C2 (0.42) KIF11DHODHRXRARXRBRXRG
Ethane SCHEMBL27903947 0.80 KIF11 (0.57) KIF11DHODHHSD17B2RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6844446-B2 Catalysts containing per-ortho aryl substituted aryl or heteroaryl substituted nitrogen donors EASTMAN CHEMICAL COMPANY (US) 2005-01-18 US disclosed
US-20040127658-A1 Productivity catalysts and microstructure control EASTMAN CHEMICAL COMPANY 2004-07-01 US disclosed
US-20040077809-A1 Productivity catalysts and microstructure control EASTMAN CHEMICAL COMPANY 2004-04-22 US disclosed
EP-1404723-A2 OLEFIN POLYMERIZATION PROCESSES USING SUPPORTED CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2004-04-07 EP disclosed
US-20030228978-A1 Catalysts containing per-ortho aryl substituted aryl or heteroaryl substituted nitrogen donors EASTMAN CHEMICAL COMPANY 2003-12-11 US disclosed
EP-1351997-A2 IMPROVED PRODUCTIVITY CATALYSTS AND MICROSTRUCTURE CONTROL EASTMAN CHEMICAL COMPANY (US) 2003-10-15 EP disclosed
US-6605677-B2 Group 8-10 transition metal based supported catalyst where the support is treated with a pore-filling agent; improved the catalyst productivity in the presence of hydrogen EASTMAN CHEMICAL COMPANY 2003-08-12 US disclosed
US-6579823-B2 Group 8-10 metal complex comprising a bidentate or variable denticity ligand; polymerization of olefins EASTMAN CHEMICAL COMPANY 2003-06-17 US disclosed
EP-1317490-A1 CATALYSTS CONTAINING PER-ORTHO ARYL SUBSTITUTED ARYL OR HETEROARYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2003-06-11 EP disclosed
US-20020091210-A1 Olefin polymerization processes using supported catalysts E. I. DU PONT DE NEMOURS AND COMPANY 2002-07-11 US disclosed
US-20020065192-A1 Productivity catalysts and microstructure control MACKENZIE PETER BORDEN (US) 2002-05-30 US disclosed
WO-2002036641-A2 IMPROVED PRODUCTIVITY CATALYSTS AND MICROSTRUCTURE CONTROL EASTMAN CHEMICAL COMPANY (US) 2002-05-10 WO disclosed
WO-2002036642-A2 OLEFIN POLYMERIZATION PROCESSES USING SUPPORTED CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2002-05-10 WO disclosed
US-20020049135-A1 Catalysts containing per-ortho aryl substituted aryl or heteroaryl substituted nitrogen donors E. I. DU PONT DE NEMOURS AND COMPANY 2002-04-25 US disclosed
WO-2002022694-A1 CATALYSTS CONTAINING PER-ORTHO ARYL SUBSTITUTED ARYL OR HETEROARYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2002-03-21 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-20040077809-A1 Productivity catalysts and microstructure control MYB, ST3GAL3, FASN KIF11 357/4885DHODH 3257/4885HSD17B2 2026/4885
US-20050090381-A1 Catalysts containing per-ortho aryl substituted aryl or heteroaryl substituted nitrogen donors NOX3, AHR, POF1B KIF11 2784/4885DHODH 560/4885HSD17B2 3520/4885
US-20030228978-A1 Catalysts containing per-ortho aryl substituted aryl or heteroaryl substituted nitrogen donors NOX3, AOC3, AHR KIF11 2681/4885DHODH 582/4885HSD17B2 3457/4885

“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.