SCHEMBL4530643

SCHEMBL4530643

O=C(O)C=Cc1ccc(C=CCCCOc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 2/20 0.52
HDAC1 Q13547 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
TNKS O95271 1/20 0.51
HCAR2 Q8TDS4 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
PPARA Q07869 3/20 0.51
SRD5A2 P31213 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50

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
SCHEMBL4530640 1.00 SMN1; SMN2 (0.52) SMN1; SMN2RAB9AHDAC1HDAC2HDAC3
SCHEMBL4530636 1.00 SMN1; SMN2 (0.52) SMN1; SMN2RAB9AHDAC1HDAC2HDAC3
SCHEMBL4509890 0.88 PPARA (0.65) SMN1; SMN2RAB9AHDAC1HDAC2HDAC3
SCHEMBL4509884 0.88 PPARA (0.65) SMN1; SMN2RAB9AHDAC1HDAC2HDAC3
SCHEMBL5208826 0.85 CA12 (0.56) SMN1; SMN2RAB9APPARANPC1MAPT
SCHEMBL5640723 0.84 HDAC1 (0.58) SMN1; SMN2HDAC1HDAC2HDAC3HDAC4
SCHEMBL5640719 0.84 HDAC1 (0.58) SMN1; SMN2HDAC1HDAC2HDAC3HDAC4
SCHEMBL4518363 0.84 PPARA (0.57) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4518366 0.84 PPARA (0.57) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4508132 0.83 PPARA (0.48) SMN1; SMN2RAB9AHDAC1HDAC2PPARA

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
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 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-20060154912-A1 Isophtalic acid derivatives VHL, FABP3, CPT1A SMN1; SMN2 3233/4885RAB9A 3779/4885HDAC1 2404/4885

“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.