SCHEMBL6541652

SCHEMBL6541652

COc1cc(OC)c(C=O)c(OC(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.59
LMNA P02545 2/20 0.51
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 3/20 0.41
MAPT P10636 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A1 P04798 3/20 0.41
CYP1B1 Q16678 3/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A3 P47895 1/20 0.39
PRKDC P78527 1/20 0.38
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37

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
2,4,6-Trimethoxybenzaldehyde SCHEMBL34873 0.87 ERN1 (0.74) ERN1LMNAALDH1A1CYP1A2ABCG2
2,4,6-Trimethoxybenzaldehyde SCHEMBL28687257 0.85 ERN1 (0.71) ERN1LMNAALDH1A1CYP1A2ABCG2
2,4,6-Trimethoxybenzaldehyde SCHEMBL28687256 0.83 ERN1 (0.75) ERN1LMNAALDH1A1CYP1A2MAPT
SCHEMBL20763774 0.79 ERN1 (0.54) ERN1LMNAALDH1A1CYP1A2MAPT
2,4,6-Trimethoxybenzaldehyde SCHEMBL8703974 0.79 ALDH1A1 (0.71) ERN1LMNAALDH1A1CYP1A2MAPT
SCHEMBL3818395 0.77 ERN1 (0.60) ERN1LMNAALDH1A1CYP1A2MAPT
SCHEMBL4541926 0.76 CYP1A2 (0.54) ERN1ALDH1A1CYP1A2MAPTABCG2
SCHEMBL12311288 0.76 ERN1 (0.65) ERN1LMNAALDH1A1CYP1A2MAPT
SCHEMBL30230047 0.76 ERN1 (0.65) ERN1LMNAALDH1A1CYP1A2ABCG2
SCHEMBL349075 0.76 ERN1 (0.65) ERN1LMNAALDH1A1CYP1A2ABCG2

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 ERN1 4004/4885LMNA 3930/4885ALDH1A1 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.