SCHEMBL5076575

SCHEMBL5076575

C=C(c1ccccc1)[Sn](CCCC)(CCCC)CCCC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.43
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
ESR1 P03372 1/20 0.41
NAAA Q02083 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PCSK9 Q8NBP7 1/20 0.36

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
SCHEMBL28831109 0.92 THRA (0.37) ESR1MEN1KMT2A
SCHEMBL28831189 0.83 HDAC3 (0.42) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL1661857 0.83 HTR7 (0.49) PTGS2ALDH1A1
SCHEMBL28831250 0.83 LMNA (0.45) ESR1ALDH1A1
SCHEMBL1661832 0.82 MAOB (0.52) PTGS2ALDH1A1
SCHEMBL28831256 0.81 KMT2A (0.42) KMT2A
SCHEMBL28831198 0.81 HDAC1 (0.48) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL28831180 0.80 TAS1R3 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL28831274 0.80 HDAC1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL28831173 0.80 NR1I2 (0.47) PTGS2CES2CES1ALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853804-B Method for synthesizing high-regioselectivity alpha-alkenyl stannane by hydrogenating terminal alkyne stannum marshi 浙江大学 2024-07-05 CN disclosed
CN-114853804-A Method for synthesizing high-regioselectivity alpha-alkenyl stannane by hydrogenation of terminal alkyne martensitic tin 浙江大学 2022-08-05 CN disclosed
EP-1592698-B1 PHOSPHINE COMPOUND, INTERMEDIATE, PALLADIUM-COMPLEX, AND USE THEREOF TAKASAGO PERFUMERY CO LTD (JP) 2008-03-26 EP disclosed
US-20070010559-A1 Indole derivatives for use as chemical uncoupler NOVO NORDISK A/S (DK) 2007-01-11 US disclosed
US-7129367-B2 Phosphine compound, its intermediate, its complex with palladium and a manufacturing method of unsaturated compounds by using the palladium complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-10-31 US disclosed
US-20060058542-A1 Phosphine compound, its intermediate, its complex with palladium and a manufacturing method of unsaturated compounds by using the palladium complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-16 US disclosed
WO-2003061385-A1 TRICYCLIC NUCLEOSIDE LIBRARY COMPOUNDS, SYNTHESIS, AND USE AS ANTIVIRAL AGENTS RIBAPHARM INC. (US) 2003-07-31 WO disclosed
WO-2003061576-A2 DEAZAPURINE NUCLEOSIDE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS RIBAPHARM INC. (US) 2003-07-31 WO disclosed
WO-2003062257-A1 DEAZAPURINE NUCLEOSIDE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS RIBAPHARM INC. (US) 2003-07-31 WO disclosed
WO-2003051897-A1 NUCLEOSIDE ANALOG LIBRARIES AND COMPOUNDS RIBAPHARM INC. (US) 2003-06-26 WO disclosed
WO-2003051896-A1 CYTIDINE LIBRARIES AND COMPOUNDS SYNTHESIZED BY SOLID-PHASE COMBINATORIAL STRATEGIES RIBAPHARM INC. (US) 2003-06-26 WO disclosed
WO-2003051899-A1 DEAZAPURINE NUCLEOSIDE LIBRARIES AND COMPOUNDS RIBAPHARM INC. (US) 2003-06-26 WO disclosed
WO-2003051898-A1 UNUSUAL NUCLEOSIDE LIBRARIES, COMPOUNDS, AND PREFERRED USES AS ANTIVIRAL AND ANTICANCER AGENTS RIBAPHARM INC. (US) 2003-06-26 WO disclosed
WO-2003051881-A1 SUBSTITUTED PURINE NUCLEOSIDE LIBRARIES AND COMPOUNDS BY SOLID-PHASE COMBINATORIAL STRATEGIES RIBAPHARM INC. (US) 2003-06-26 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-20060058542-A1 Phosphine compound, its intermediate, its complex with palladium and a manufacturing method of unsaturated compounds by using the palladium complex SQLE, C9, PHOSPHO1 PTGS2 3253/4885CES2 3828/4885CES1 3108/4885
US-20070010559-A1 Indole derivatives for use as chemical uncoupler GPR119, IDO2, IDO1 PTGS2 591/4885CES2 1480/4885CES1 1585/4885

“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.