SCHEMBL9658587

SCHEMBL9658587

CC(C)Oc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.57
TSHR P16473 1/20 0.57
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.51
MCL1 Q07820 2/20 0.51
NR1H2 P55055 1/20 0.50
BAX Q07812 1/20 0.50
MAOA P21397 1/20 0.50
PNLIP P16233 1/20 0.50
ALDH1A3 P47895 1/20 0.48
BCL2 P10415 1/20 0.48
MDM2 Q00987 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46

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
SCHEMBL12394 0.90 KMT2A (0.54) LTA4HTSHRKMT2AMEN1ALDH1A1
SCHEMBL6282894 0.90 ALDH1A3 (0.56) TSHRKMT2AALDH1A1GAAMCL1
Oxirane SCHEMBL11696690 0.90 LTA4H (0.47) LTA4HTSHRKMT2AMEN1ALDH1A1
Ammonia Solution, Strong SCHEMBL8909178 0.87 KMT2A (0.52) LTA4HTSHRKMT2AMEN1ALDH1A1
Phosphine SCHEMBL28772208 0.87 KMT2A (0.52) LTA4HTSHRKMT2AMEN1ALDH1A1
Hydrogen Sulfide SCHEMBL27992657 0.87 KMT2A (0.52) LTA4HTSHRKMT2AMEN1ALDH1A1
SCHEMBL12960634 0.86 KMT2A (0.52) KMT2AMEN1ALDH1A1LMNATP53
Hydrochloric Acid SCHEMBL6570767 0.85 KMT2A (0.50) LTA4HTSHRKMT2AMEN1ALDH1A1
Methylamine SCHEMBL27820445 0.85 KMT2A (0.50) KMT2AMEN1ALDH1A1LMNATP53
Ethylene SCHEMBL28227817 0.85 KMT2A (0.50) LTA4HTSHRKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116354801-A Synthesis method for pyriproxyfen intermediate 如东众意化工有限公司 2023-06-30 CN claimed
EP-3760633-A1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINAZOLINE TYPE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2021-01-06 EP disclosed
US-10005784-B2 Pyridines, pyrimidines, and pyrazines, as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2018-06-26 US disclosed
US-10005784-B2 Pyridines, pyrimidines, and pyrazines, as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2018-06-26 US disclosed
US-9738648-B2 Pyridines, pyrimidines, and pyrazines, as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-08-22 US disclosed
US-9738648-B2 Pyridines, pyrimidines, and pyrazines, as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-08-22 US disclosed
US-20170226113-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-10 US disclosed
US-20170226113-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-10 US disclosed
US-20160159804-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-09 US disclosed
US-5110943-A Herbicides SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1992-05-05 US disclosed
US-5037759-A Oxidation of substituted phenoxy propane by bacteria SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1991-08-06 US disclosed
EP-0319100-A2 Process for the preparation of substituted phenoxy propanoic acids SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-06-07 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-20170226113-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN LTA4H 1899/4885TSHR 2251/4885KMT2A 1390/4885
US-20160159804-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN LTA4H 1899/4885TSHR 2251/4885KMT2A 1390/4885
US-10005784-B2 Pyridines, pyrimidines, and pyrazines, as BTK inhibitors and uses thereof BTK, SYK, LYN LTA4H 2008/4885TSHR 2553/4885KMT2A 1453/4885

“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.