SCHEMBL13525

SCHEMBL13525

Bc1ccc(C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
LMNA P02545 1/20 0.52
TYR P14679 1/20 0.52
HDAC1 Q13547 1/20 0.46
KIF11 P52732 2/20 0.44
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
SLC22A3 O75751 1/20 0.41
BCHE P06276 3/20 0.40
ACHE P22303 3/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 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
SCHEMBL17121753 0.92 KIF11 (0.56) TSHRLMNATYRHDAC1KIF11
SCHEMBL12032170 0.92 KIF11 (0.56) TSHRLMNATYRHDAC1KIF11
SCHEMBL16595576 0.85 TSHR (0.42) TSHRLMNATYRHDAC1KIF11
SCHEMBL12163986 0.85 CYP1A2 (0.53) TSHRLMNATYRHDAC1ALDH1A1
SCHEMBL424728 0.83 TSHR (0.73) TSHRLMNATYRHDAC1KIF11
SCHEMBL12600290 0.82 NPC1 (0.60) TSHRLMNAHDAC1KIF11ALDH1A1
SCHEMBL15165483 0.81 ESR1 (0.52) TSHRLMNATYRHDAC1ALDH1A1
SCHEMBL13227384 0.81 ESR1 (0.44) TSHRLMNATYRHDAC1HPGD
SCHEMBL29052426 0.80 TSHR (0.32) TSHRLMNATYR
SCHEMBL24727658 0.80 KIF11 (0.45) TSHRLMNATYRHDAC1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0199260-A2 Boronic acid adducts of technetium-99M dioxime complexes E.R. Squibb & Sons, Inc. (US) 1986-10-29 EP claimed
US-12036219-B2 Methods of treating infections in overweight and obese patients using antibiotics MELINTA SUBSIDIARY CORP. (US) 2024-07-16 US disclosed
EP-4289480-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS F. Hoffmann-La Roche AG (CH) 2023-12-13 EP disclosed
EP-4231064-A1 COMPOSITIONS AND USE THEREOF IN PHOTOELECTRIC FIELD Zhejiang Brilliant Optoelectronic Technology Co., Ltd. (CN) 2023-08-23 EP disclosed
WO-2023095543-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT キヤノン株式会社 2023-06-01 WO disclosed
CN-112638961-B Polyethylene compositions and films having superior properties 诺瓦化学品(国际)股份有限公司 2023-03-28 CN disclosed
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 WO disclosed
WO-2023003234-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-01-26 WO disclosed
US-20220223795-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2022-07-14 US disclosed
US-20220194939-A1 Novel compounds and methods of use treating fructose-related disorders or diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-23 US disclosed
US-20140191205-A1 BIPOLAR COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2014-07-10 US disclosed
WO-2014089904-A1 TRIAZINONE COMPOUNDS ABBVIE INC. (US) 2014-06-19 WO disclosed
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
WO-2012171609-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-12-20 WO disclosed
WO-2012091143-A1 OPTICAL FILM, PROCESS FOR PRODUCING THE SAME, AND POLARIZING PLATE AND STEREOSCOPIC DISPLAY DEVICE AND SYSTEM HAVING THE SAME FUJIFILM CORPORATION (JP) 2012-07-05 WO disclosed
EP-2107047-B1 Method for producing organic compounds by means of a transition metal-catalysed cross-coupling reaction of an aryl-X, heteroaryl-X, cycloalkenyl-X or alkenyl-X compound with an alkyl, alkenyl, cycloalkyl or cycloalkenyl halogenide SALTIGO GMBH (DE) 2011-09-28 EP disclosed
WO-2011044187-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2011-04-14 WO disclosed
WO-2010127152-A2 COMPOUNDS AND COMPOSITIONS AS MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 INHIBITORS IRM LLC (BM) 2010-11-04 WO disclosed
US-20100264813-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND USE THEREOF SHOWA DENKO K.K. (JP) 2010-10-21 US disclosed
EP-2108690-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-10-14 EP 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 (4 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-12036219-B2 Methods of treating infections in overweight and obese patients using antibiotics NCEH1, NRDC, LPL TSHR 3233/4885LMNA 2012/4885TYR 4242/4885
US-20220223795-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 TSHR 4090/4885LMNA 3994/4885TYR 48/4885
US-20220194939-A1 Novel compounds and methods of use treating fructose-related disorders or diseases GCK, KHK, HK1 TSHR 4224/4885LMNA 3355/4885TYR 3082/4885
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same PCNA, AADAC, MIF TSHR 3560/4885LMNA 910/4885TYR 1195/4885

“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.