SCHEMBL1894058

SCHEMBL1894058

C=C1[C@@H](O)C[C@H](O)[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)C3=C(C)[C@@H](O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 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
SCHEMBL1896050 0.83 USP2 (0.30)
SCHEMBL29786939 0.68
SCHEMBL1895270 0.64
Taxuspine F SCHEMBL30602496 0.64 RAB9A (0.31)
SCHEMBL31215165 0.63 RAB9A (0.32)
SCHEMBL30716487 0.62
Taxinine A SCHEMBL30495377 0.59 RAB9A (0.32) ABCB1
SCHEMBL28016409 0.54 ALOX15 (0.33) ABCB1
SCHEMBL15326611 0.51 POLB (0.39) ABCB1
SCHEMBL851415 0.50 CA12 (0.35) ABCB1

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-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
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-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 ABCB1 101/4885
US-20110112036-A1 PHARMACEUTICAL COMPOSITIONS OF PACLITAXEL, PACLITAXEL ANALOGS OR PACLITAXEL CONJUGATES AND RELATED METHODS OF PREPARATION AND USE PGA5, KIF5A, ABCB11 ABCB1 8/4885
US-20130280281-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF SLC43A1, SLC7A5, DNPEP ABCB1 112/4885
US-20120277158-A1 COMPOSITIONS AND METHODS FOR THE TRANSPORT OF THERAPEUTIC AGENTS GBA1, SLC47A1, GAA ABCB1 92/4885
US-20180015180-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF SLC43A1, SLC7A5, DNPEP ABCB1 112/4885
US-20160263236-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF SLC43A1, SLC7A5, DNPEP ABCB1 112/4885

“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.