SCHEMBL4259961

SCHEMBL4259961

CCCCCC[CH]C(C)CCCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.44
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.38
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
OPRM1 P35372 1/20 0.37
SPHK1 Q9NYA1 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL480983 1.00 DNM1 (0.44) DNM1TSHRTHRBFAAHTRPV1
SCHEMBL19511994 1.00 DNM1 (0.44) DNM1TSHRTHRBFAAHTRPV1
SCHEMBL10337322 1.00 DNM1 (0.44) DNM1TSHRTHRBFAAHTRPV1
SCHEMBL3458341 1.00 DNM1 (0.44) DNM1TSHRTHRBFAAHTRPV1
SCHEMBL1743891 1.00 DNM1 (0.44) DNM1TSHRTHRBFAAHTRPV1
SCHEMBL7698918 0.98 DNM1 (0.40) DNM1TSHRTHRBFAAHTRPV1
SCHEMBL9014021 0.95 TSHR (0.42) DNM1TSHRTHRBFAAHTRPV1
SCHEMBL19511992 0.95 TSHR (0.42) DNM1TSHRTHRBFAAHTRPV1
SCHEMBL1900761 0.95 TSHR (0.42) DNM1TSHRTHRBFAAHTRPV1
SCHEMBL13279660 0.95 TSHR (0.42) DNM1TSHRTHRBFAAHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4334319-A1 2,8-DIHYDROPYRAZOLO[3,4-B]INDOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Merck Patent GmbH (DE) 2024-03-13 EP disclosed
WO-2024028169-A1 NOVEL SPECIFICALLY SUBSTITUTED THIOPHENOLIC COMPOUNDS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-02-08 WO disclosed
US-20240009175-A9 TETRAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2024-01-11 US disclosed
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230271956-A1 AMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2023-08-31 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
EP-4185564-A1 TRICYCLIC HETEROCYCLES Merck Patent GmbH (DE) 2023-05-31 EP disclosed
US-20230149371-A1 TETRAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2023-05-18 US disclosed
WO-2023078813-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS MERCK PATENT GMBH (DE) 2023-05-11 WO disclosed
WO-2023072974-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-05-04 WO disclosed
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US disclosed
EP-3294728-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP disclosed
EP-3294729-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP disclosed
WO-2016180537-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO disclosed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO disclosed
EP-2105458-A1 Dispersable polythiophene composition. Agfa-Gevaert (BE) 2009-09-30 EP disclosed
CN-101467276-A Liquid crystalline rylene tetracarboxylic acid derivatives and use thereof MAX PLANCK GESELLSCHAFT (DE) 2009-06-24 CN disclosed
US-20080300329-A1 Modified Open-Cell Foams, and Method for the Production Thereof BASF AKTIENGESELLSCHAFT (DE) 2008-12-04 US disclosed
US-20060199885-A1 Silica-reinforced rubber compounded with an alkoxysilane and a strong organic base LIN CHENCHY J 2006-09-07 US disclosed
US-3975216-A Wax-flux composition containing a diester of sulfomalic acid for soldering CHEVRON RESEARCH COMPANY (US) 1976-08-17 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 (6 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-20240009175-A9 TETRAZOLE DERIVATIVES VHL, BRCA1, POT1 DNM1 2427/4885TSHR 2558/4885THRB 1494/4885
US-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 DNM1 869/4885TSHR 2042/4885THRB 776/4885
US-20230271956-A1 AMIDE DERIVATIVES BRCA1, HRAS, PCNA DNM1 946/4885TSHR 2913/4885THRB 1869/4885
US-20230149371-A1 TETRAZOLE DERIVATIVES VHL, BRCA1, POT1 DNM1 2427/4885TSHR 2558/4885THRB 1494/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP DNM1 808/4885TSHR 2088/4885THRB 950/4885
US-20180118718-A1 Substituted Quinoxaline Derivatives BRCA1, NQO2, NQO1 DNM1 1163/4885TSHR 4313/4885THRB 3645/4885

“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.