SCHEMBL4515786

SCHEMBL4515786

BrCCOc1ccc(OCCCCOc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.73
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
LTA4H P09960 3/20 0.57
TAAR1 Q96RJ0 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RECQL P46063 1/20 0.52
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
HTR1B P28222 1/20 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
SCHEMBL91274 0.93 KCNA3 (0.67) KCNA3HDAC3HDAC4HDAC1HDAC7
Ammonia Solution, Strong SCHEMBL2762681 0.91 KCNA3 (0.64) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL2291508 0.89 LTA4H (0.64) KCNA3LTA4HTAAR1ALDH1A1RECQL
SCHEMBL311427 0.88 KCNA3 (0.76) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL23014989 0.86 KCNA3 (0.73) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL1171574 0.86 KCNA3 (0.73) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL7562039 0.86 KCNA3 (0.73) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL7612512 0.86 KCNA3 (0.73) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL9169690 0.86 KCNA3 (0.73) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL9631165 0.86 KCNA3 (0.73) KCNA3HDAC3HDAC4HDAC1HDAC7

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-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 KCNA3 3486/4885HDAC3 1918/4885HDAC4 3002/4885

“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.