SCHEMBL1492003

SCHEMBL1492003

CCCC(C=O)CCC(C)C=O

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL28204025 0.94 TSHR (0.39) TSHRSMN1; SMN2
SCHEMBL514688 0.84
SCHEMBL1390067 0.83 TSHR (0.44) TSHRSMN1; SMN2
SCHEMBL9883879 0.83 TSHR (0.56) TSHRSMN1; SMN2
SCHEMBL28655206 0.83 TSHR (0.52) TSHRSMN1; SMN2
2-Methylpentanal SCHEMBL1939674 0.82
2-Methylpentanal SCHEMBL3235073 0.82
2-Methylpentanal SCHEMBL7749332 0.82 TSHR (0.40) TSHRSMN1; SMN2
2-Methylpentanal SCHEMBL43746 0.82
2-Methylpentanal SCHEMBL7111525 0.81 TSHR (0.54) TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4426542-A HYDROFORMYLATION, ALDOL CONDENSATION, HYDROGENATION MONSANTO COMPANY (US) 1984-01-17 US claimed
CN-107429059-A ENERGY-SENSITIVE RESIN COMPOSITION 东京应化工业株式会社 2017-12-01 CN disclosed
US-7906688-B2 Calixarene bisphosphite ligand for use in hydroformylation processes DOW GLOBAL TECHNOLOGIES INC. 2011-03-15 US disclosed
US-20100044628-A1 CALIXARENE BISPHOSPHITE LIGAND FOR USE IN HYDROFORMYLATION PROCESSES DOW GLOBAL TECHNOLOGIES LLC 2010-02-25 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-20100044628-A1 CALIXARENE BISPHOSPHITE LIGAND FOR USE IN HYDROFORMYLATION PROCESSES CALU, PFKFB3, PFKFB4 TSHR 3322/4885SMN1; SMN2 3591/4885

“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.