SCHEMBL10035472

SCHEMBL10035472

O=C1OC(=O)c2ccc(Oc3ccc(C#CF)cc3)c3c(Oc4ccc(C#CF)cc4)ccc1c23

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ TYMS P04818 2/20 0.33
▸ AR P10275 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
SCHEMBL17548202 0.88 FFAR1 (0.40) MEN1POLBKMT2AADORA2A
SCHEMBL12129683 0.84 CYP1A2 (0.36) MEN1POLBKMT2AADORA2ATYMS
SCHEMBL10035470 0.71 TYMS (0.41) MEN1POLBKMT2ATYMS
SCHEMBL15327084 0.70 MAOA (0.47) POLB
SCHEMBL3448095 0.67 MAOA (0.51) POLB
SCHEMBL31257143 0.67 STK10 (0.40) POLBKMT2AADORA2A
SCHEMBL148025 0.66 TYMS (0.62) MEN1POLBKMT2ATYMS
SCHEMBL18068778 0.66 GSTP1 (0.37) MEN1POLBKMT2AADORA2ATYMS
SCHEMBL23430836 0.65 MCL1 (0.56) MEN1POLBKMT2ATYMS
SCHEMBL18071038 0.62 PARP1 (0.32) TYMS

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-8106142-B2 Polyacetylinic oligomers THE BOEING COMPANY (US) 2012-01-31 — — US disclosed
US-8063168-B2 Oligomers with di-phenylethynyl endcaps THE BOEING COMPANY (US) 2011-11-22 — — US disclosed
US-20100204412-A1 OLIGOMERS WITH DI-PHENYLETHYNYL ENDCAPS THE BOEING COMPANY 2010-08-12 — — US disclosed
US-20100204485-A1 POLYACETYLINIC OLIGOMERS THE BOEING COMPANY 2010-08-12 — — 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-20100204485-A1 POLYACETYLINIC OLIGOMERS AADAC, ACMSD, ECPAS MEN1 4503/4885POLB 3179/4885KMT2A 1850/4885

“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.

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