SCHEMBL13552108

SCHEMBL13552108

Cc1cc(-c2ccc(C(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc(C)c1O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.59
▸ PKM P14618 1/20 0.59
▸ HGFAC Q04756 1/20 0.56
▸ NR1H4 Q96RI1 1/20 0.56
▸ MAPT P10636 7/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ GAA P10253 3/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALOX5 P09917 3/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL12644734 0.86 MAPT (0.52) KMT2APKMHGFACNR1H4MAPT
SCHEMBL16375430 0.86 KMT2A (0.77) KMT2APKMHGFACNR1H4MAPT
SCHEMBL3145157 0.86 KMT2A (0.77) KMT2APKMHGFACNR1H4MAPT
SCHEMBL13552104 0.85 HGFAC (0.60) KMT2APKMHGFACNR1H4MAPT
SCHEMBL12644210 0.84 KMT2A (0.55) KMT2APKMHGFACNR1H4MAPT
SCHEMBL12644214 0.84 KMT2A (0.55) KMT2APKMHGFACNR1H4MAPT
SCHEMBL9807385 0.83 ALDH1A1 (0.53) KMT2AMAPTALDH1A1MAPK1MEN1
SCHEMBL13551974 0.82 ALDH1A1 (0.47) KMT2APKMHGFACNR1H4MAPT
SCHEMBL10636579 0.82 KMT2A (0.84) KMT2APKMHGFACNR1H4MAPT
SCHEMBL4951809 0.82 KMT2A (0.84) KMT2APKMHGFACNR1H4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771321-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-26 — — US disclosed
US-9771321-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-26 — — US disclosed
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2017-07-06 — — US disclosed
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2017-07-06 — — US disclosed
US-20140336254-A1 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2014-11-13 — — US disclosed
US-20140336254-A1 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2014-11-13 — — US disclosed
US-8703815-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2014-04-22 — — US disclosed
US-8703815-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2014-04-22 — — US disclosed
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-25 — — US disclosed
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-25 — — 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 (3 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-20140336254-A1 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB KMT2A 3072/4885PKM 2741/4885HGFAC 528/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB KMT2A 3072/4885PKM 2741/4885HGFAC 528/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB KMT2A 3072/4885PKM 2741/4885HGFAC 528/4885

“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.

Send feedback