SCHEMBL1521227

SCHEMBL1521227

COc1ccc2cc(C(=O)CCCCC(=O)NO)ccc2c1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.74
HDAC8 Q9BY41 10/20 0.74
ALDH1A1 P00352 1/20 0.63
CYP1A2 P05177 1/20 0.63
HPGD P15428 1/20 0.63
CYP2C19 P33261 1/20 0.63
HSD17B10 Q99714 1/20 0.63
MMP1 P03956 1/20 0.62
HDAC6 Q9UBN7 6/20 0.56
HDAC3 O15379 5/20 0.56
HDAC4 P56524 5/20 0.56
HDAC7 Q8WUI4 5/20 0.56
HDAC2 Q92769 5/20 0.56
HDAC10 Q969S8 5/20 0.56
HDAC11 Q96DB2 5/20 0.56
HDAC9 Q9UKV0 5/20 0.56
HDAC5 Q9UQL6 5/20 0.56
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL13783978 0.99 HDAC1 (0.77) HDAC1HDAC8ALDH1A1CYP1A2HPGD
SCHEMBL9365890 0.86 ALDH1A1 (0.67) HDAC1HDAC8ALDH1A1CYP1A2HPGD
SCHEMBL3383312 0.85 HDAC8 (1.00) HDAC1HDAC8MMP1HDAC6HDAC3
SCHEMBL1521117 0.85 HDAC8 (1.00) HDAC1HDAC8MMP1HDAC6HDAC3
SCHEMBL9805770 0.84 ALDH1A1 (0.65) HDAC1HDAC8ALDH1A1CYP1A2HPGD
SCHEMBL9805744 0.84 ALDH1A1 (0.65) HDAC1HDAC8ALDH1A1CYP1A2HPGD
SCHEMBL10574043 0.84 ALDH1A1 (0.68) HDAC1HDAC8ALDH1A1CYP1A2HPGD
SCHEMBL9805746 0.84 CYP1A2 (0.83) HDAC1HDAC8ALDH1A1CYP1A2HPGD
SCHEMBL8570532 0.83 CYP1A2 (0.67) HDAC1HDAC8ALDH1A1CYP1A2HPGD
SCHEMBL16672058 0.83 ALDH1A1 (0.67) HDAC1HDAC8ALDH1A1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0261759-B1 AMIDO SUBSTITUTED NAPHTHALENE AND INTERMEDIATES THEREOF ORTHO PHARMACEUTICAL CORPORATION (US) 1991-04-17 EP claimed
EP-0261759-A2 Amido substituted naphthalene and intermediates thereof ORTHO PHARMACEUTICAL CORPORATION (US) 1988-03-30 EP claimed
US-4681894-A AMIDO SUBSTITUTED NAPHTHALENES, ANTIINFLAMMATORY AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1987-07-21 US claimed
US-20160015693-A1 METHODS AND COMPOUNDS FOR PREVENTING AND TREATING A TUMOUR AGENCY SCIENCE TECH & RES (SG) 2016-01-21 US disclosed
US-8969313-B2 Methods and compounds for preventing and treating a tumour AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-03-03 US disclosed
US-20110053882-A1 METHODS AND COMPOUNDS FOR PREVENTING AND TREATING A TUMOUR AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-03-03 US disclosed
EP-2217240-A1 METHODS AND COMPOUNDS FOR PREVENTING AND TREATING A TUMOUR Agency for Science, Technology And Research (SG) 2010-08-18 EP disclosed
WO-2009058102-A1 METHODS AND COMPOUNDS FOR PREVENTING AND TREATING A TUMOUR AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-05-07 WO disclosed
EP-0261759-B1 AMIDO SUBSTITUTED NAPHTHALENE AND INTERMEDIATES THEREOF ORTHO PHARMACEUTICAL CORPORATION (US) 1991-04-17 EP disclosed
US-4814487-A ANTIINFLAMMATORY ORTHO PHARMACEUTICAL CORPORATION (US) 1989-03-21 US disclosed
EP-0261759-A2 Amido substituted naphthalene and intermediates thereof ORTHO PHARMACEUTICAL CORPORATION (US) 1988-03-30 EP disclosed
US-4681894-A AMIDO SUBSTITUTED NAPHTHALENES, ANTIINFLAMMATORY AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1987-07-21 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-20110053882-A1 METHODS AND COMPOUNDS FOR PREVENTING AND TREATING A TUMOUR HDAC1, CCAR2, HDAC11 HDAC1 1/4885HDAC8 19/4885ALDH1A1 2080/4885
US-20160015693-A1 METHODS AND COMPOUNDS FOR PREVENTING AND TREATING A TUMOUR HDAC1, HDAC11, CCAR2 HDAC1 1/4885HDAC8 15/4885ALDH1A1 1634/4885

“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.