SCHEMBL5568951

SCHEMBL5568951

CCCCc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.63
HTR2A P28223 2/20 0.62
HTR2C P28335 2/20 0.62
HTR2B P41595 2/20 0.62
TUBB4A P04350 3/20 0.57
TUBB P07437 3/20 0.57
TUBA3C P0DPH7 3/20 0.57
TUBA1B P68363 3/20 0.57
TUBA4A P68366 3/20 0.57
TUBB4B P68371 3/20 0.57
TUBB3 Q13509 3/20 0.57
TUBB2A Q13885 3/20 0.57
TUBB8 Q3ZCM7 3/20 0.57
TUBA3E Q6PEY2 3/20 0.57
TUBA1A Q71U36 3/20 0.57
TUBA1C Q9BQE3 3/20 0.57
TUBB6 Q9BUF5 3/20 0.57
TUBB2B Q9BVA1 3/20 0.57
TUBB1 Q9H4B7 3/20 0.57
AOC3 Q16853 2/20 0.56

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
SCHEMBL5514786 0.94 PTGS2 (0.61) PTGS2HTR2AHTR2CHTR2BTUBB4A
SCHEMBL10772012 0.92 PTGS2 (0.59) PTGS2HTR2AHTR2CHTR2BTUBB4A
SCHEMBL10774727 0.92 PTGS2 (0.59) PTGS2HTR2AHTR2CHTR2BTUBB4A
SCHEMBL10773005 0.92 PTGS2 (0.59) PTGS2HTR2AHTR2CHTR2BTUBB4A
SCHEMBL7424861 0.89 HTR2A (0.69) PTGS2HTR2AHTR2CHTR2BTUBB4A
SCHEMBL2500546 0.87 PTGS2 (0.68) PTGS2HTR2AHTR2CHTR2BTUBB4A
SCHEMBL4464142 0.84 HTR2A (0.75) PTGS2HTR2AHTR2CHTR2BTUBB4A
SCHEMBL10355755 0.82 PPARA (0.59) PTGS2HTR2AHTR2CHTR2BTUBB4A
SCHEMBL900845 0.82 HTR2A (0.60) PTGS2HTR2AHTR2CHTR2BTUBB4A
SCHEMBL2007007 0.82 TNKS2 (0.68) PTGS2HTR2AHTR2CHTR2BTUBB4A

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
EP-2925319-B1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES UNIV ROCHESTER (US) 2019-01-09 EP disclosed
CN-105237460-B 2-acyl group replaces the one-step method for synthesizing of 1-isoindolinone compounds 陕西师范大学 2016-08-17 CN disclosed
US-8778941-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-07-15 US disclosed
US-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20070254185-A1 Organic EL display device and organic thin film device HITACHI DISPLAYS, LTD. (JP) 2007-11-01 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-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 PTGS2 711/4885HTR2A 411/4885HTR2C 593/4885
US-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 PTGS2 2854/4885HTR2A 4048/4885HTR2C 4325/4885

“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.