SCHEMBL3342475

SCHEMBL3342475

COC(=O)CCC(=O)C#C[Si](C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.36
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL25224556 0.89 TSHR (0.50) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL3341819 0.89 TSHR (0.56) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL12931198 0.79 TSHR (0.38) TSHRLMNAKDM4EKMT2AMEN1
SCHEMBL302058 0.77 EGLN1 (0.41) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL1478279 0.73 TDP1 (0.32) ALDH1A1
SCHEMBL1572411 0.72
Dimethyl Succinate SCHEMBL28054469 0.72 TSHR (1.00) TSHRLMNAKDM4EALDH1A1KMT2A
Dimethyl Succinate SCHEMBL10213 0.72 TSHR (1.00) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL11347415 0.71 CES1 (0.42) TSHRALDH1A1KMT2AHSD17B10MEN1
SCHEMBL3099156 0.70 TSHR (0.62) TSHRLMNAKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115873000-B Isoquinolinones and quinazolinones compounds, and composition and application thereof 中山医诺维申新药研发有限公司 2025-02-28 CN disclosed
WO-2023051495-A1 ISOQUINOLINONE AND QUINAZOLINONE COMPOUNDS, AND COMPOSITION AND USE THEREOF 中山医诺维申新药研发有限公司 2023-04-06 WO disclosed
CN-115873000-A Isoquinolone and quinazolinone compounds, and composition and application thereof 中山医诺维申新药研发有限公司 2023-03-31 CN disclosed
US-20100159540-A1 SYNTHESIS OF RESOLVINS AND INTERMEDIATES, COMPOUNDS PREPARED THEREBY, AND USES THEREOF UNIVERSITY OF MEDICINE & DENTISTRY OF NEW JERSEY 2010-06-24 US disclosed
US-20100159540-A1 SYNTHESIS OF RESOLVINS AND INTERMEDIATES, COMPOUNDS PREPARED THEREBY, AND USES THEREOF UNIVERSITY OF MEDICINE & DENTISTRY OF NEW JERSEY 2010-06-24 US disclosed
US-20100159540-A1 SYNTHESIS OF RESOLVINS AND INTERMEDIATES, COMPOUNDS PREPARED THEREBY, AND USES THEREOF UNIVERSITY OF MEDICINE & DENTISTRY OF NEW JERSEY 2010-06-24 US disclosed
WO-2008118457-A2 SYNTHESIS OF RESOLVINS AND INTERMEDIATES, COMPOUNDS PREPARED THEREBY, AND USES THEREOF UNIVERSITY OF MEDICINE AND DENTISTRY OF NJ (US) 2008-10-02 WO disclosed
US-5342767-A Transferring a hydride ion from an R-configured alcohol to the pro-R face of nicotinamide adenine dinucleotide phosphate THE SCRIPPS RESEARCH INSTITUTE (US) 1994-08-30 US disclosed
US-5225339-A NADPH <--> NADP THE SCRIPPS RESEARCH INSTITUTE (US) 1993-07-06 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 (1 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-20100159540-A1 SYNTHESIS OF RESOLVINS AND INTERMEDIATES, COMPOUNDS PREPARED THEREBY, AND USES THEREOF ALOX5, ALOX15, ALOX15B TSHR 3238/4885LMNA 1092/4885KDM4E 2559/4885

“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.