SCHEMBL4126506

SCHEMBL4126506

Cc1cc(C(=O)O)c(O)c(C)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.57
CXCL12 P48061 1/20 0.57
GAA P10253 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
PSMD14 O00487 1/20 0.49
HSP90AA1 P07900 1/20 0.49
MMP2 P08253 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 4/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CTH P32929 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42
LDHA P00338 1/20 0.42

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
SCHEMBL31315038 0.86 HMGB1 (0.52) HMGB1CXCL12GAAMEN1KMT2A
SCHEMBL8830153 0.86 HMGB1 (0.52) HMGB1CXCL12GAAMEN1KMT2A
SCHEMBL12379051 0.86 KMT2A (0.53) HMGB1CXCL12GAAMEN1KMT2A
SCHEMBL15483655 0.84 ALDH1A1 (0.40) HMGB1CXCL12GAAMEN1KMT2A
SCHEMBL1173699 0.84 HMGB1 (0.59) HMGB1CXCL12GAAMEN1KMT2A
SCHEMBL1490237 0.83 LDHA (0.48) HMGB1CXCL12GAAMEN1KMT2A
SCHEMBL4641265 0.83 LDHA (0.48) HMGB1CXCL12GAAMEN1KMT2A
SCHEMBL3761832 0.82 HMGB1 (0.52) HMGB1CXCL12GAAMEN1KMT2A
SCHEMBL30931541 0.82 MEN1 (0.42) HMGB1CXCL12GAAMEN1KMT2A
SCHEMBL30931542 0.82 MEN1 (0.42) HMGB1CXCL12GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017051020-A1 DYE COMPOSITION COMPRISING A RESORCINOL-BASED COUPLER AND AN OXIDATION BASE L'OREAL (FR) 2017-03-30 WO disclosed
CN-106511327-A Application of ACEI active ingredient in Lonicera edulis Turcz in preparation of anti-hypertension drugs 滨州医学院 2017-03-22 CN disclosed
US-9217109-B2 Polymer-stabilised liquid-crystal media and displays MERCK PATENT GMBH (DE) 2015-12-22 US disclosed
EP-2596082-B1 POLYMER-STABILIZED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GMBH (DE) 2015-11-04 EP disclosed
US-8865914-B2 Fluorescent probes for detection of copper THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-21 US disclosed
US-8865914-B2 Fluorescent probes for detection of copper THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-21 US disclosed
US-20140051863-A1 FLUORESCENT PROBES FOR DETECTION OF COPPER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2014-02-20 US disclosed
US-20140051863-A1 FLUORESCENT PROBES FOR DETECTION OF COPPER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2014-02-20 US disclosed
US-8481519-B2 Isolation of atraric acid, synthesis of atraric acid derivatives, and use of atraric acid and the derivatives thereof for the treatment of benign prostatic hyperplasia, prostate carcinoma and spinobulbar muscular atrophy LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2013-07-09 US disclosed
EP-1850857-B1 ISOLATION OF ATRARIC ACID, SYNTHESIS OF ATRARIC ACID DERIVATIVES, AND USE OF ATRARIC ACID AND THE DERIVATIVES THEREOF FOR THE TREATMENT OF PROSTATE CARCINOMA. LOHMANN THERAPIE SYST LTS (DE) 2013-05-22 EP disclosed
US-20130119311-A1 POLYMER-STABILISED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-16 US disclosed
WO-2012022388-A1 POLYMER-STABILIZED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GMBH (DE) 2012-02-23 WO disclosed
US-20090143466-A1 Isolation of Atraric Acid, Synthesis of Atraric Acid Derivatives, and Use of Atraric Acid and the Derivatives Thereof for the Treatment of Benign Prostatic Hyperplasia, Prostate Carcinoma and Spinobulbar Muscular Atrophy LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2009-06-04 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-20140051863-A1 FLUORESCENT PROBES FOR DETECTION OF COPPER NCS1, CHERP, RYR1 HMGB1 714/4885CXCL12 3422/4885GAA 318/4885
US-20090143466-A1 Isolation of Atraric Acid, Synthesis of Atraric Acid Derivatives, and Use of Atraric Acid and the Derivatives Thereof for the Treatment of Benign Prostatic Hyperplasia, Prostate Carcinoma and Spinobulbar Muscular Atrophy RARB, RARA, AR HMGB1 3579/4885CXCL12 3793/4885GAA 1200/4885

“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.