SCHEMBL1481803

SCHEMBL1481803

CCn1cc(-c2ccccc2OC)nc1/C=C/c1ccc(-c2ccc(OCCCC(=O)OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
KDM1A O60341 1/20 0.40
FABP3 P05413 2/20 0.39
FABP4 P15090 1/20 0.39
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
TLR8 Q9NR97 1/20 0.38
VDR P11473 1/20 0.38
ADORA2A P29274 2/20 0.38
PPARA Q07869 1/20 0.37
FFAR4 Q5NUL3 2/20 0.37
KCNH2 Q12809 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
SCHEMBL1481805 1.00 HDAC1 (0.40) HDAC1HDAC6KDM1AFABP3FABP4
SCHEMBL1482116 0.92 PPARA (0.47) FABP3FABP4PPARAFFAR4ICMT
SCHEMBL1482119 0.92 PPARA (0.47) FABP3FABP4PPARAFFAR4ICMT
SCHEMBL1482806 0.91 PTPN2 (0.40) HDAC1HDAC6FABP3HDAC3HDAC4
SCHEMBL1482805 0.91 PTPN2 (0.40) HDAC1HDAC6FABP3HDAC3HDAC4
SCHEMBL1481616 0.89 LTB4R (0.44) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL1481613 0.89 LTB4R (0.44) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL1481429 0.88 HDAC6 (0.45) HDAC1HDAC6KDM1AHDAC3HDAC4
SCHEMBL1481426 0.88 HDAC6 (0.45) HDAC1HDAC6KDM1AHDAC3HDAC4
SCHEMBL6533870 0.88 PPARA (0.42) FABP3FABP4PPARAFFAR4

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-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 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 (2 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ HDAC1 1874/4885HDAC6 1595/4885KDM1A 605/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ HDAC1 1874/4885HDAC6 1595/4885KDM1A 605/4885

“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.