SCHEMBL9244309

SCHEMBL9244309

COc1cc(C#N)cc(C#N)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.45
ALB P02768 2/20 0.45
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
USP2 O75604 2/20 0.42
EGFR P00533 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RGS12 O14924 1/20 0.41
GMNN O75496 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL443285 0.88 TTR (0.52) TTRALBALDH1A1KDM4EUSP2
SCHEMBL12846356 0.84 EGFR (0.51) TTRALBALDH1A1KDM4EUSP2
SCHEMBL17655654 0.82 TTR (0.47) TTRALBALDH1A1KDM4EUSP2
SCHEMBL1175107 0.81 EGFR (0.54) TTRALBALDH1A1KDM4EUSP2
SCHEMBL1667670 0.79 ERN1 (0.50) ALDH1A1KDM4EUSP2EGFRMEN1
SCHEMBL10493540 0.79 NFKB1 (0.45) TTRALBALDH1A1KDM4EUSP2
SCHEMBL17744575 0.79 TTR (0.44) TTRALBALDH1A1KDM4EUSP2
SCHEMBL4250564 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EUSP2EGFRMEN1
SCHEMBL1175171 0.79 CYP19A1 (0.47) TTRALBALDH1A1KDM4EUSP2
SCHEMBL30717570 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EUSP2EGFRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2022-02-17 US disclosed
US-5446194-A Pharmacologically active catechol derivatives ORION-YHTYMA OY (FI) 1995-08-29 US disclosed
US-5283352-A Transferase inhibitor ORION-YHTYMA OY (FI) 1994-02-01 US disclosed
US-5112861-A Inhibitors of catechol-methyl-transferase enzyme, levodopa ORION-YHTYMA OY (FI) 1992-05-12 US disclosed
US-4963590-A ENZYME INHIBITOR FOR TREATING PARKINSON'S DISEASE ALONG WITH DOPA;POTENTIATION ORION-YHTYMA OY (FI) 1990-10-16 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-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT TTR 1848/4885ALB 4117/4885ALDH1A1 42/4885

“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.