SCHEMBL2578699

SCHEMBL2578699

Cc1cccc(Cc2ccccc2O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
HPGD P15428 2/20 0.54
HSPA5 P11021 1/20 0.54
KEAP1 Q14145 1/20 0.53
BCL2 P10415 1/20 0.47
BCL2L1 Q07817 1/20 0.47
IDH1 O75874 1/20 0.46
ALOX5 P09917 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL9744457 0.87 TRPA1 (0.45) MAPTHPGDBCL2BCL2L1TAAR1
SCHEMBL8607999 0.86 HSPA5 (0.65) HPGDHSPA5KEAP1BCL2BCL2L1
SCHEMBL28870069 0.85 AMY1A (0.59) MAPTHPGDBCL2BCL2L1TAAR1
SCHEMBL27950266 0.85 HSPA5 (0.58) MAPTHPGDHSPA5KEAP1BCL2
SCHEMBL12807763 0.84 ALOX5 (0.49) MAPTBCL2BCL2L1IDH1ALOX5
SCHEMBL8702799 0.84 MAPT (0.53) MAPTHPGDSMN1; SMN2TAAR1DAO
SCHEMBL2094961 0.82 TAAR1 (0.48) CYP2C19TAAR1CYP3A4DAOIDO1
SCHEMBL10604818 0.81 ALDH1A1 (0.46) ALOX5CYP2C19TAAR1CYP3A4CNR1
SCHEMBL8096568 0.81 DAO (0.47) CYP2C19TAAR1CYP3A4CNR1CNR2
SCHEMBL921907 0.81 KEAP1 (0.62) MAPTHPGDHSPA5KEAP1BCL2

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
EP-2929882-A1 MIF inhibitors Mifcare (FR) 2015-10-14 EP claimed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
EP-2714763-B1 EPOXY RESINS WITH HIGH THERMAL STABILITY AND TOUGHNESS HUNTSMAN ADVANCED MAT AMERICAS LLC (US) 2017-03-01 EP disclosed
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 US disclosed
US-9340504-B2 Pyridine and piperidine derivatives as novel sodium channel blockers PURDUE PHARMA L.P. (US) 2016-05-17 US disclosed
US-20150141434-A1 PYRIDINE AND PIPERIDINE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-05-21 US disclosed
US-8048897-B2 Cyclohexane derivative, prodrug thereof and salt thereof, and therapeutic agent containing the same for diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-01 US disclosed
CN-101010276-B Cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing same CHUGAI PHARMACEUTICAL CO LTD 2011-01-12 CN disclosed
US-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-12-25 US disclosed
CN-101010276-A Novel cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing the same CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-08-01 CN disclosed
EP-1783110-A1 NOVEL CYCLOHEXANE DERIVATIVE, PRODRUG THEREOF AND SALT THEREOF, AND THERAPEUTIC AGENT CONTAINING THE SAME FOR DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-09 EP 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-20150141434-A1 PYRIDINE AND PIPERIDINE DERIVATIVES AND USE THEREOF CACNA1A, TRPV1, CACNA1E MAPT 3893/4885HPGD 740/4885HSPA5 1532/4885
US-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes SLC5A1, GPR119, SLC5A2 MAPT 4638/4885HPGD 769/4885HSPA5 2445/4885
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES DHODH, DLD, HAGH MAPT 110/4885HPGD 206/4885HSPA5 582/4885

“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.