SCHEMBL4289737

SCHEMBL4289737

COc1cc(OC)c([PH](C[C]=O)(c2c(OC)cc(OC)cc2OC)c2c(OC)cc(OC)cc2OC)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5569576 0.76 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP1A2CA12CA1
SCHEMBL15094976 0.75 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP1A2CA12CA1
SCHEMBL12465623 0.69 CYP1A2 (0.45) ALDH1A1CYP3A4CYP1A2CA12CA1
SCHEMBL18863400 0.69 PTPN1 (0.50) ALDH1A1CYP3A4CYP1A2CA12CA1
SCHEMBL15255504 0.69 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP1A2CA12CA1
SCHEMBL29104333 0.67 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP1A2CA12CA1
SCHEMBL2095222 0.67 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP1A2CA12CA1
SCHEMBL1047857 0.67 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP1A2CA12CA1
SCHEMBL3192136 0.64 CYP1A2 (0.43) ALDH1A1CYP3A4CYP1A2CA12CA1
SCHEMBL2093137 0.64 CYP3A4 (0.41) ALDH1A1CYP3A4CYP1A2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021072169-A1 MATERIALS AND METHODS FOR MASS SPECTROMETRIC PROTEIN ANALYSIS JANSSEN BIOTECH, INC. (US) 2021-04-15 — — WO disclosed
US-20090142851-A1 METHOD FOR SELECTIVELY RECOVERING C-TERMINAL PEPTIDE OF PROTEIN AND METHOD FOR DETERMINING AMINO ACID SEQUENCE OF C-TERMINAL PEPTIDE OF PROTEIN USING THE SAME SHIMADZU CORPORATION (JP) 2009-06-04 — — 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-20090142851-A1 METHOD FOR SELECTIVELY RECOVERING C-TERMINAL PEPTIDE OF PROTEIN AND METHOD FOR DETERMINING AMINO ACID SEQUENCE OF C-TERMINAL PEPTIDE OF PROTEIN USING THE SAME ANPEP, RNPEP, PTMS ALDH1A1 4857/4885CYP3A4 4677/4885CYP1A2 4859/4885

“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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