SCHEMBL165547

SCHEMBL165547

C#Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.52
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.46
TYR P14679 1/20 0.46
RARB P10826 1/20 0.45
RARG P13631 1/20 0.45
PTPN1 P18031 1/20 0.45
HDAC8 Q9BY41 2/20 0.42
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 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
SCHEMBL31403398 0.97 KIF11 (0.50) KIF11TSHRLMNATYRRARB
SCHEMBL27635840 0.93 KIF11 (0.63) KIF11TSHRLMNATYRRARB
SCHEMBL13729097 0.89 SMN1; SMN2 (0.46) KIF11TSHRLMNATYRRARB
SCHEMBL28297150 0.84 PTPN1 (0.45) KIF11TSHRRARBRARGPTPN1
SCHEMBL5181294 0.84 ESR1 (0.46) KIF11TSHRPTPN1HDAC8GABRP
SCHEMBL450726 0.83 PTPN1 (0.48) KIF11RARBRARGPTPN1HDAC8
SCHEMBL201758 0.80 PTPN1 (0.47) KIF11TSHRLMNATYRRARB
SCHEMBL17729292 0.80 PDE2A (0.45) KIF11RARBRARGPTPN1HDAC8
SCHEMBL25413986 0.78 RARB (0.65) KIF11TSHRLMNATYRRARB
SCHEMBL19875742 0.78 KIF11 (0.56) KIF11TSHRLMNATYRRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120132861-A Copper-based high-entropy alloy material and preparation method and application thereof 温州大学新材料与产业技术研究院 2025-06-13 CN claimed
CN-120028308-A Small molecule Raman probe, bar code probe, encoding method and application thereof 北京大学 2025-05-23 CN claimed
CN-115838382-B Synthesis method of beta-ketophosphorus oxide 惠州学院 2025-03-04 CN claimed
CN-118638088-B Preparation method for synthesizing flavonoid compounds based on carbon dioxide and alkyne 湖南工程学院 2024-11-22 CN claimed
CN-118515716-A NNN-pyridine-quinoline cobalt complex, preparation method and catalytic alkyne hydrosilylation reaction 石河子大学 2024-08-20 CN claimed
US-20240243010-A1 INHIBITOR FOR SELECTIVELY DEPOSITING THIN FILM AND METHOD FOR SELECTIVELY DEPOSITING THIN FILM ADEKA CORPORATION (JP) 2024-07-18 US claimed
CN-117646229-A Method for preparing ammonia by catalyzing NO through ultra-small copper nanoclusters 广州惠清环保技术有限公司 2024-03-05 CN claimed
CN-115025820-B Alkynyl borohydride catalyst and application thereof in alkynyl borohydride 安徽大学 2023-11-14 CN claimed
CN-116969821-A Method for photo-thermal catalysis of hydration carbonylation reaction of 4-tert-butyl phenylacetylene by using carbon nano tube 南京工业大学 2023-10-31 CN claimed
CN-113788765-B Preparation method of alpha, beta-unsaturated amide 湖南工程学院 2023-08-15 CN claimed
EP-2729184-A1 NOVEL AGONISTS AND ANTAGONISTS OF THE UROTENSINERGIC SYSTEM Institut National de la Recherche Scientifique (CA) 2014-05-14 EP claimed
US-20140113872-A1 NOVEL AGONISTS AND ANTAGONISTS OF THE UROTENSINERGIC SYSTEM INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2014-04-24 US claimed
EP-2013171-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER S DISEASE MERCK SHARP & DOHME (GB) 2013-05-15 EP claimed
WO-2012149644-A1 NOVEL AGONISTS AND ANTAGONISTS OF THE UROTENSINERGIC SYSTEM INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2012-11-08 WO claimed
EP-1599201-B1 SELECTIVE NON-STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-04-14 EP claimed
US-7109377-B2 Synthesis of combinatorial libraries of compounds reminiscent of natural products PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-09-19 US claimed
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-01 US claimed
US-6448443-B1 GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-09-10 US claimed
WO-2000006525-A9 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS HARVARD COLLEGE (US) 2000-04-20 WO claimed
WO-2000006525-A2 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-10 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20140113872-A1 NOVEL AGONISTS AND ANTAGONISTS OF THE UROTENSINERGIC SYSTEM UTS2R, SCTR, PLAUR KIF11 3628/4885TSHR 340/4885LMNA 3763/4885
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products TKFC, NISCH, PTGIS KIF11 2864/4885TSHR 4277/4885LMNA 4480/4885

“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.