SCHEMBL898817

SCHEMBL898817

[CH2]CC(CC)CC(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4655337 0.85
SCHEMBL4578588 0.82 TSHR (0.38) TSHRTDP1
SCHEMBL506180 0.82 TSHR (0.38) TSHRTDP1
SCHEMBL4899382 0.81
SCHEMBL8421787 0.79
SCHEMBL9211140 0.75 ALDH1A1 (0.38) TSHRTDP1
SCHEMBL6412213 0.75
SCHEMBL38270 0.75
SCHEMBL218909 0.75
SCHEMBL7917847 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230390277-A1 METHODS TO SENSITIZE TUMORS TO TREATMENT BY IMMUNOTHERAPY OHIO STATE INNOVATION FOUNDATION 2023-12-07 US disclosed
EP-3008037-A1 HYDROXY-ETHYLENE DERIVATIVES FOR THE TREATMENT OF ARTHROSIS Merck Patent GmbH (DE) 2016-04-20 EP disclosed
EP-2994467-A1 ARYLQUINAZOLINES Merck Patent GmbH (DE) 2016-03-16 EP disclosed
EP-2964648-A1 9-(ARYL OR HETEROARYL)-2-(PYRAZOLYL, PYRROLIDINYL OR CYCLOPENTYL)AMINOPURINE DERIVATIVES AS ANTICANCER AGENTS Merck Patent GmbH (DE) 2016-01-13 EP disclosed
EP-2953944-A1 PYRIDAZINONE-AMIDES DERIVATIVES Merck Patent GmbH (DE) 2015-12-16 EP disclosed
EP-2920146-A1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES Merck Patent GmbH (DE) 2015-09-23 EP disclosed
EP-2831077-A1 BICYCLIC PYRAZINONE DERIVATIVES Merck Patent GmbH (DE) 2015-02-04 EP disclosed
WO-2014198372-A1 HYDROXY-ETHYLENE DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2014-12-18 WO disclosed
WO-2014183850-A1 ARYLQUINAZOLINES MERCK PATENT GMBH (DE) 2014-11-20 WO disclosed
WO-2014135245-A1 9-(ARYL OR HETEROARYL)-2-(PYRAZOLYL, PYRROLIDINYL OR CYCLOPENTYL)AMINOPURINE DERIVATIVES AS ANTICANCER AGENTS MERCK PATENT GMBH (DE) 2014-09-12 WO disclosed
WO-2013143663-A1 BICYCLIC PYRAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-10-03 WO disclosed
EP-2622617-A2 ELECTROLYTE FORMULATIONS Merck Patent GmbH (DE) 2013-08-07 EP disclosed
WO-2012163480-A1 ORGANIC ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2012-12-06 WO disclosed
WO-2012041437-A2 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2012-04-05 WO disclosed
WO-2011103953-A1 FLUORINE-FLUORINE ASSOCIATES MERCK PATENT GMBH (DE) 2011-09-01 WO disclosed
US-20110195968-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
CN-1863783-A Compounds with Thrombopoietin Receptor Agonism SHIONOGI & CO (JP) 2006-11-15 CN disclosed
EP-1716127-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2006-11-02 EP disclosed
WO-2005118545-A1 GAS-PHASE OXIDATION OF ALKYL-SUBSTITUTED HETEROCYCLIC COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2005-12-15 WO disclosed
WO-2005082871-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2005-09-09 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 (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-20230390277-A1 METHODS TO SENSITIZE TUMORS TO TREATMENT BY IMMUNOTHERAPY TXNRD2, PCK2, DLD TSHR 4276/4885TDP1 1464/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 TSHR 19/4885TDP1 1506/4885

“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.