SCHEMBL4506574

SCHEMBL4506574

Oc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.78
CYP1A2 P05177 1/20 0.78
PTGS1 P23219 1/20 0.78
SLC6A2 P23975 1/20 0.78
CYP2C19 P33261 1/20 0.78
PTGS2 P35354 1/20 0.78
SLC6A3 Q01959 1/20 0.78
HIF1A Q16665 1/20 0.78
HDAC6 Q9UBN7 1/20 0.78
FFAR1 O14842 1/20 0.66
GSTP1 P09211 2/20 0.65
APP P05067 2/20 0.61
GAA P10253 4/20 0.61
MAPT P10636 3/20 0.61
MEN1 O00255 2/20 0.61
BLM P54132 2/20 0.61
KMT2A Q03164 2/20 0.61
TP53 P04637 1/20 0.61
ATM Q13315 1/20 0.61
BCHE P06276 2/20 0.58

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
SCHEMBL254671 0.94 LMNA (0.88) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL27980945 0.94 LMNA (0.74) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6059234 0.92 LMNA (0.85) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5633288 0.92 APP (0.70) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL22596639 0.92 APP (0.70) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2515844 0.90 LMNA (0.88) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL18625351 0.90 LMNA (0.73) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL23665904 0.88 GSTP1 (0.68) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL23483029 0.88 LMNA (0.69) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL12285274 0.88 GSTP1 (0.68) LMNACYP1A2PTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP disclosed
US-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 US disclosed
EP-1572628-A1 ISOPHTALIC ACID DERIVATIVES Bayer HealthCare AG (DE) 2005-09-14 EP disclosed
WO-2004052839-A1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-06-24 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-20060154912-A1 Isophtalic acid derivatives VHL, FABP3, CPT1A LMNA 655/4885CYP1A2 96/4885PTGS1 66/4885

“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.