SCHEMBL6540782

SCHEMBL6540782

CCOc1cc(OC)cc(OC)c1C=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
ERN1 O75460 2/20 0.59
ALDH1A1 P00352 2/20 0.44
CALM1 P0DP23 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
CYP1A2 P05177 1/20 0.41
ABL1 P00519 1/20 0.41
ABCB1 P08183 1/20 0.41
BCR P11274 1/20 0.41
ESR1 P03372 2/20 0.40
AHR P35869 1/20 0.40
PDE4D Q08499 3/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL1913197 0.89 LMNA (0.54) LMNAERN1ALDH1A1CYP1A1CYP1B1
2,4,6-Trimethoxybenzaldehyde SCHEMBL34873 0.87 ERN1 (0.74) LMNAERN1ALDH1A1ABCG2CYP1A1
SCHEMBL2700873 0.85 LMNA (0.52) LMNAERN1ALDH1A1
2,4,6-Trimethoxybenzaldehyde SCHEMBL28687257 0.85 ERN1 (0.71) LMNAERN1ALDH1A1ABCG2CYP1A1
SCHEMBL28418398 0.84 ERN1 (0.57) LMNAERN1ALDH1A1ABCG2CYP1A1
SCHEMBL20562492 0.84 LMNA (0.53) LMNAERN1ALDH1A1CYP1A2PDE4D
2,4,6-Trimethoxybenzaldehyde SCHEMBL28687256 0.83 ERN1 (0.75) LMNAERN1ALDH1A1ABCG2CYP1A1
SCHEMBL31562854 0.82 LMNA (0.56) LMNAERN1ALDH1A1ABCG2CYP1A2
SCHEMBL5556434 0.80 LMNA (0.57) LMNAERN1ABCG2
SCHEMBL14612135 0.79 ERN1 (0.47) LMNAERN1ALDH1A1CYP1A1CYP1B1

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-6787543-B2 PREPARATION OF TACHYKININ ANTAGONISTS; SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-07 US disclosed
US-20030176430-A1 Benzhydryl derivatives ASTELLAS PHARMA INC. (JP) 2003-09-18 US disclosed
EP-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO 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-20030176430-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 LMNA 3930/4885ERN1 4004/4885ALDH1A1 2029/4885

“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.