SCHEMBL1879760

SCHEMBL1879760

[CH2]CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.36
CYP3A4 P08684 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 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
SCHEMBL28549731 0.98 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2MAPK1
SCHEMBL23292189 0.84 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL28550615 0.83 SMYD2 (0.40) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL5865018 0.82 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL708399 0.82 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2MAPK1
SCHEMBL8816520 0.81 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL28387134 0.80 TAAR1 (0.38) SMYD2CYP3A4HTTSMN1; SMN2MAPK1
SCHEMBL7848052 0.80 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2MAPK1
SCHEMBL30563707 0.80 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2MAPK1
SCHEMBL8168666 0.80 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117247403-A Push-pull type silicon-containing asymmetric Mirabilite derivative heptamethine chromophore compound, composite material, thin film and photoelectric integrated device 香港城市大学深圳研究院 2023-12-19 CN claimed
EP-2948455-A1 NOVEL N-ACYL-(3-SUBSTITUTED)-(8-SUBSTITUTED)-5,6-DIHYDRO- [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR-MEDIATED DISORDERS Euroscreen S.A. (BE) 2015-12-02 EP claimed
WO-2014154895-A1 NOVEL N-ACYL-(3-SUBSTITUTED)-(8-SUBSTITUTED)-5,6-DIHYDRO- [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR-MEDIATED DISORDERS EUROSCREEN SA (BE) 2014-10-02 WO claimed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO claimed
EP-0378604-B1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES ERBA CARLO SPA (IT) 1994-03-02 EP claimed
EP-0378604-A1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES. ERBA CARLO SPA (IT) 1990-07-25 EP claimed
WO-1989010926-A1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1989-11-16 WO claimed
EP-3813946-B1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-05-22 EP disclosed
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-02-15 US disclosed
EP-4302827-A2 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN Pharmaceutica NV (BE) 2024-01-10 EP disclosed
CN-117247403-A Push-pull type silicon-containing asymmetric Mirabilite derivative heptamethine chromophore compound, composite material, thin film and photoelectric integrated device 香港城市大学深圳研究院 2023-12-19 CN disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP disclosed
EP-0378604-B1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES ERBA CARLO SPA (IT) 1994-03-02 EP disclosed
EP-0378604-A1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES. ERBA CARLO SPA (IT) 1990-07-25 EP disclosed
WO-1989010926-A1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1989-11-16 WO disclosed
US-4684641-A BACTERICIDES PFIZER INC. (US) 1987-08-04 US disclosed
EP-0168177-A2 Cephalosporin antibiotics Pfizer Limited (GB) 1986-01-15 EP 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-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS SMYD2 1418/4885CYP3A4 4739/4885HTT 2514/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS SMYD2 1418/4885CYP3A4 4739/4885HTT 2514/4885

“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.