SCHEMBL192576

SCHEMBL192576

COc1cc(Cc2nccc3c(OC)c(OC)c(-c4ccccc4)cc23)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 9/20 0.46
TUBB P07437 9/20 0.46
TUBA3C P0DPH7 9/20 0.46
TUBA1B P68363 9/20 0.46
TUBA4A P68366 9/20 0.46
TUBB4B P68371 9/20 0.46
TUBB3 Q13509 9/20 0.46
TUBB2A Q13885 9/20 0.46
TUBB8 Q3ZCM7 9/20 0.46
TUBA3E Q6PEY2 9/20 0.46
TUBA1A Q71U36 9/20 0.46
TUBA1C Q9BQE3 9/20 0.46
TUBB6 Q9BUF5 9/20 0.46
TUBB2B Q9BVA1 9/20 0.46
TUBB1 Q9H4B7 9/20 0.46
PDE10A Q9Y233 3/20 0.44
USP2 O75604 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 2/20 0.44

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
SCHEMBL151891 0.89 PDE10A (0.55) PDE10AUSP2ALDH1A1LMNACYP3A4
SCHEMBL128846 0.88 PDE3B (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL149392 0.84 PDE10A (0.55) PDE10AUSP2ALDH1A1LMNACYP3A4
SCHEMBL127901 0.81 PDE10A (0.39) PDE10AUSP2ALDH1A1LMNACYP3A4
SCHEMBL128801 0.80 PDE10A (0.37) PDE10AUSP2ALDH1A1LMNACYP3A4
SCHEMBL8555054 0.78 PDE10A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11721413 0.75 TUBB1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL23457662 0.74 PDE10A (0.77) PDE10AUSP2ALDH1A1LMNACYP3A4
SCHEMBL147885 0.74 PDE10A (0.75) PDE10AUSP2ALDH1A1LMNACYP3A4
SCHEMBL11722846 0.73 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 WO 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 TUBB4A 2910/4885TUBB 1861/4885TUBA3C 2451/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L TUBB4A 1556/4885TUBB 1537/4885TUBA3C 1913/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L TUBB4A 1798/4885TUBB 1707/4885TUBA3C 2061/4885

“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.