SCHEMBL322651

SCHEMBL322651

CC(C)(C)c1ccc(-c2[c]cccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.41
TSHR P16473 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TNF P01375 1/20 0.38
NOD1 Q9Y239 1/20 0.38
LMNA P02545 1/20 0.37
TYR P14679 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NOTUM Q6P988 1/20 0.35
S1PR1 P21453 1/20 0.35
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
HTR1D P28221 1/20 0.33
ADRA1A P35348 1/20 0.33
NISCH Q9Y2I1 1/20 0.33

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
SCHEMBL2788809 0.98 KIF11 (0.44) KIF11TSHRHDAC6TNFNOD1
SCHEMBL16592827 0.85 ESR1 (0.47) KIF11TSHRKDM4EKMT2AALDH1A1
SCHEMBL28297511 0.85 KIF11 (0.36) KIF11
SCHEMBL14937918 0.84 KIF11 (0.34) KIF11TSHRALDH1A1
SCHEMBL29024385 0.82 RXRB (0.38) KIF11NPC1RAB9AL3MBTL1KDM4E
SCHEMBL145647 0.80 KIF11 (0.54) KIF11TSHRKDM4EKMT2AALDH1A1
SCHEMBL713985 0.79 S1PR1 (0.56) NPC1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL714489 0.79 RAB9A (0.53) KIF11TNFNOD1NPC1RAB9A
SCHEMBL7951435 0.78 TSHR (0.32) KIF11TSHRLMNATYRNPC1
SCHEMBL3822082 0.77 KIF11 (0.45) KIF11TSHRHDAC6TNFNOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024022413-A1 DIVALENT METAL COMPLEX, PREPARATION METHOD THEREFOR AND USE THEREOF, AND ORGANIC OPTOELECTRONIC DEVICE 中国石油化工股份有限公司 2024-02-01 WO claimed
CN-117466944-A Divalent metal complex, preparation method and application thereof, and organic photoelectric device 中国石油化工股份有限公司 2024-01-30 CN claimed
EP-2786985-B1 Antagonists of the glucagon receptor METABASIS THERAPEUTICS INC (US) 2018-11-28 EP claimed
US-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS INC (US) 2016-01-14 US claimed
EP-2457891-B1 Method for manufacturing diaryl carbonates from dialkyl carbonates BAYER IP GMBH (DE) 2015-04-01 EP claimed
EP-2786985-A2 Antagonists of the glucagon receptor Metabasis Therapeutics, Inc. (US) 2014-10-08 EP claimed
EP-2129654-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR Metabasis Therapeutics, Inc. (US) 2009-12-09 EP claimed
WO-2008098244-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2008-08-14 WO claimed
EP-1472302-B1 POLYCARBONATE RESIN COMPOSITION FOR OPTICAL APPLICATIONS AND METHODS FOR MANUFACTURE THEREOF GEN ELECTRIC (US) 2008-05-21 EP claimed
EP-1435957-A4 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMA (US) 2005-04-13 EP claimed
EP-1435957-A2 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES Vertex Pharmaceuticals Incorporated (US) 2004-07-14 EP claimed
WO-2002088078-A2 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3β PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 WO claimed
EP-4370333-A1 SPECIAL POLYMER LAYERS FOR FASTER LAMINABILITY OF MULTILAYER STRUCTURES Covestro Deutschland AG (DE) 2024-05-22 EP disclosed
EP-4370334-A1 FILM STRUCTURE SUITABLE FOR RAPID LAMINATION Covestro Deutschland AG (DE) 2024-05-22 EP disclosed
EP-4323195-A1 PROCESS FOR PARTIAL COLOURING OF PLASTIC PARTS USING SOLID COLOURANTS IN COLOUR-CARRIER LAYERS Covestro Deutschland AG (DE) 2024-02-21 EP disclosed
WO-2024022413-A1 DIVALENT METAL COMPLEX, PREPARATION METHOD THEREFOR AND USE THEREOF, AND ORGANIC OPTOELECTRONIC DEVICE 中国石油化工股份有限公司 2024-02-01 WO disclosed
US-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US disclosed
US-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US disclosed
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 EP disclosed
US-5190958-A Fungicides SHELL RESEARCH LIMITED (GB) 1993-03-02 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 (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-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 KIF11 3579/4885TSHR 64/4885HDAC6 3039/4885

“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.