SCHEMBL5020562

SCHEMBL5020562

c1ccc([PH](CC2CCCCC2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.40
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
EPHX1 P07099 1/20 0.38
KDM1A O60341 3/20 0.37
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
SIGMAR1 Q99720 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL24310936 1.00 EPHX2 (0.40) EPHX2RAB9ANPC1EPHX1KDM1A
SCHEMBL22893113 1.00 EPHX2 (0.40) EPHX2RAB9ANPC1EPHX1KDM1A
SCHEMBL22893117 1.00 EPHX2 (0.40) EPHX2RAB9ANPC1EPHX1KDM1A
SCHEMBL18401356 1.00 EPHX2 (0.40) EPHX2RAB9ANPC1EPHX1KDM1A
SCHEMBL22906294 1.00 EPHX2 (0.40) EPHX2RAB9ANPC1EPHX1KDM1A
SCHEMBL10037070 0.98 EPHX2 (0.37) EPHX2RAB9ANPC1EPHX1KDM1A
Iodide SCHEMBL2647139 0.96 EPHX2 (0.36) EPHX2RAB9ANPC1EPHX1KDM1A
SCHEMBL5519016 0.89 GBA1 (0.34) SIGMAR1OPRM1OPRD1OPRK1
Bromide SCHEMBL28426746 0.87 GBA1 (0.33) SIGMAR1
SCHEMBL15593375 0.80 ACHE (0.38) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 US disclosed
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
CN-101686665-B Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC 2014-04-23 CN disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 US disclosed
CN-101686665-A styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC 2010-03-31 CN disclosed
US-20090286863-A1 SULFAMATOBENZOTHIOPHENE DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2009-11-19 US disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 US disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 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 (4 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-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE EGFR, CBL, ERBB2 EPHX2 2127/4885RAB9A 2344/4885NPC1 3590/4885
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 EPHX2 1251/4885RAB9A 2615/4885NPC1 787/4885
US-20090286863-A1 SULFAMATOBENZOTHIOPHENE DERIVATIVES SULT1A1, SULT1E1, SULT2A1 EPHX2 1074/4885RAB9A 4677/4885NPC1 4401/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 EPHX2 1251/4885RAB9A 2615/4885NPC1 787/4885

“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.