SCHEMBL1890724

SCHEMBL1890724

C=C1C(O)CC[C@@]2(C)CCC3=C(C)CC[C@@H](C[C@H]12)C3(C)C

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.59
TRPA1 O75762 1/20 0.32
EP300 Q09472 1/20 0.31

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
SCHEMBL12420173 1.00 HDAC6 (0.59) HDAC6TRPA1EP300
SCHEMBL713065 1.00 HDAC6 (0.59) HDAC6TRPA1EP300
SCHEMBL17590204 1.00 HDAC6 (0.59) HDAC6TRPA1EP300
SCHEMBL14153661 1.00 HDAC6 (0.59) HDAC6TRPA1EP300
SCHEMBL19657980 0.86 HDAC6 (0.59) HDAC6
SCHEMBL4810887 0.84 HDAC6 (0.40) HDAC6TRPA1EP300
SCHEMBL3512995 0.84 HDAC6 (0.40) HDAC6TRPA1EP300
SCHEMBL15444385 0.83 HDAC6 (0.55) HDAC6
SCHEMBL4805879 0.80 HDAC6 (0.42) HDAC6
SCHEMBL4806029 0.80 HDAC6 (0.37) HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710013-B2 Pharmaceutical compositions of paclitaxel, paclitaxel analogs or paclitaxel conjugates and related methods of preparation and use ANGIOCHEM INC. (CA) 2014-04-29 US claimed
US-20180015180-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC (CA) 2018-01-18 US disclosed
US-20170342451-A1 BIOSYNTHESIS OF PACLITAXEL INTERMEDIATE BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2017-11-30 US disclosed
US-20170342451-A1 BIOSYNTHESIS OF PACLITAXEL INTERMEDIATE BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2017-11-30 US disclosed
US-9732365-B2 Biosynthesis of paclitaxel intermediate BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2017-08-15 US disclosed
US-9732365-B2 Biosynthesis of paclitaxel intermediate BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2017-08-15 US disclosed
EP-2588490-B1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC (CA) 2017-02-22 EP disclosed
US-20160263236-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC (CA) 2016-09-15 US disclosed
US-9161988-B2 Multimeric peptide conjugates and uses thereof ANGIOCHEM INC. (CA) 2015-10-20 US disclosed
US-20150284751-A1 BIOSYNTHESIS OF PACLITAXEL INTERMEDIATE BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2015-10-08 US disclosed
US-20150284751-A1 BIOSYNTHESIS OF PACLITAXEL INTERMEDIATE BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2015-10-08 US disclosed
US-8710013-B2 Pharmaceutical compositions of paclitaxel, paclitaxel analogs or paclitaxel conjugates and related methods of preparation and use ANGIOCHEM INC. (CA) 2014-04-29 US disclosed
US-20130280281-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2013-10-24 US disclosed
US-20120277158-A1 COMPOSITIONS AND METHODS FOR THE TRANSPORT OF THERAPEUTIC AGENTS ANGIOCHEM INC. (CA) 2012-11-01 US disclosed
US-20120141416-A1 MULTIMERIC PEPTIDE CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2012-06-07 US disclosed
US-20110112036-A1 PHARMACEUTICAL COMPOSITIONS OF PACLITAXEL, PACLITAXEL ANALOGS OR PACLITAXEL CONJUGATES AND RELATED METHODS OF PREPARATION AND USE ANGIOCHEM INC. (CA) 2011-05-12 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 (6 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-20120141416-A1 MULTIMERIC PEPTIDE CONJUGATES AND USES THEREOF LNPEP, DNPEP, VIP HDAC6 1097/4885TRPA1 4451/4885EP300 4847/4885
US-20110112036-A1 PHARMACEUTICAL COMPOSITIONS OF PACLITAXEL, PACLITAXEL ANALOGS OR PACLITAXEL CONJUGATES AND RELATED METHODS OF PREPARATION AND USE PGA5, KIF5A, ABCB11 HDAC6 2193/4885TRPA1 4283/4885EP300 3064/4885
US-20130280281-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF SLC43A1, SLC7A5, DNPEP HDAC6 1719/4885TRPA1 4780/4885EP300 4868/4885
US-20120277158-A1 COMPOSITIONS AND METHODS FOR THE TRANSPORT OF THERAPEUTIC AGENTS GBA1, SLC47A1, GAA HDAC6 540/4885TRPA1 4663/4885EP300 3063/4885
US-20180015180-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF SLC43A1, SLC7A5, DNPEP HDAC6 1719/4885TRPA1 4780/4885EP300 4868/4885
US-20160263236-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF SLC43A1, SLC7A5, DNPEP HDAC6 1719/4885TRPA1 4780/4885EP300 4868/4885

“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.