SCHEMBL5083307

SCHEMBL5083307

COc1cc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
MAOB P27338 1/20 0.43
HIF1A Q16665 1/20 0.43
ABCB1 P08183 1/20 0.42
CA4 P22748 1/20 0.41
LTA4H P09960 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP19A1 P11511 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TACR1 P25103 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SIGMAR1 Q99720 1/20 0.39
AKR1B1 P15121 1/20 0.39
CALM1 P0DP23 1/20 0.39

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
Bromide SCHEMBL16180511 0.98 TSHR (0.46) TSHRMAPK1MAOBHIF1AABCB1
Bromide SCHEMBL28593166 0.89 TACR1 (0.48) TSHRMAPK1MAOBHIF1AABCB1
SCHEMBL5973660 0.86 MAOB (0.57) MAOBHIF1AABCB1ALDH1A1SIGMAR1
Bromide SCHEMBL29076665 0.84 MAOB (0.56) MAOBHIF1AABCB1ALDH1A1SIGMAR1
Hydrochloric Acid SCHEMBL4176842 0.84 MAOB (0.56) MAOBHIF1AABCB1ALDH1A1SIGMAR1
SCHEMBL7819280 0.83 LTA4H (0.57) HIF1ACA4LTA4HSIGMAR1
SCHEMBL18179853 0.82 CYP19A1 (0.46) TSHRMAPK1MAOBABCB1CA4
Hydrochloric Acid SCHEMBL4598689 0.81 LTA4H (0.55) HIF1ACA4LTA4HSIGMAR1
SCHEMBL18876993 0.79 LTA4H (0.57) TSHRCA4LTA4HALDH1A1L3MBTL1
SCHEMBL28682641 0.79 L3MBTL1 (0.41) TSHRMAPK1MAOBHIF1AALDH1A1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10004722-B2 Method for treating hepatic encephalopathy or a disease associated with free radical mediate stress and oxidative stress with novel functionalized 1,3-benzene diols KANNALIFE SCIENCES, INC. (US) 2018-06-26 US disclosed
US-10004722-B2 Method for treating hepatic encephalopathy or a disease associated with free radical mediate stress and oxidative stress with novel functionalized 1,3-benzene diols KANNALIFE SCIENCES, INC. (US) 2018-06-26 US disclosed
US-9939729-B2 Resist pattern-forming method JSR CORPORATION (JP) 2018-04-10 US disclosed
US-9766547-B2 Pattern forming method, actinic ray-sensitive or radiation-sensitive resin composition, resist film, method of manufacturing electronic device using the same, and electronic device FUJIFILM CORPORATION (JP) 2017-09-19 US disclosed
US-9766547-B2 Pattern forming method, actinic ray-sensitive or radiation-sensitive resin composition, resist film, method of manufacturing electronic device using the same, and electronic device FUJIFILM CORPORATION (JP) 2017-09-19 US disclosed
US-20170157097-A1 METHOD FOR TREATING HEPATIC ENCEPHALOPATHY OR A DISEASE ASSOCIATED WITH FREE RADICAL MEDIATE STRESS AND OXIDATIVE STRESS WITH NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS KANNALIFE SCIENCES, INC. 2017-06-08 US disclosed
US-20170157097-A1 METHOD FOR TREATING HEPATIC ENCEPHALOPATHY OR A DISEASE ASSOCIATED WITH FREE RADICAL MEDIATE STRESS AND OXIDATIVE STRESS WITH NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS KANNALIFE SCIENCES, INC. 2017-06-08 US disclosed
US-9651863-B2 Pattern forming method, active light sensitive or radiation sensitive resin composition, resist film, method for manufacturing electronic device, and electronic device FUJIFILM CORPORATION (JP) 2017-05-16 US disclosed
US-9651863-B2 Pattern forming method, active light sensitive or radiation sensitive resin composition, resist film, method for manufacturing electronic device, and electronic device FUJIFILM CORPORATION (JP) 2017-05-16 US disclosed
US-9611213-B2 Functionalized 1,3-benzene diols and their method of use for the treatment of hepatic encephalopathy KANNALIFE SCIENCES, INC. (US) 2017-04-04 US disclosed
EP-0934065-B1 NOVEL CRYPTOPHYCIN DERIVATIVES AS ANTI-NEOPLASTIC AGENTS UNIV HAWAII (US) 2006-06-07 EP disclosed
US-6844471-B2 Method for the conversion of a Z-isomer into E-isomer ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2005-01-18 US disclosed
WO-2004009539-A2 METHOD FOR THE CONVERSION OF A Z-ISOMER INTO E-ISOMER ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2004-01-29 WO disclosed
US-20040015020-A1 Method for the conversion of a Z-isomer into E-isomer ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2004-01-22 US disclosed
US-6680311-B1 ANTICARCINOGENIC, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS ELI LILLY AND COMPANY 2004-01-20 US disclosed
WO-2003094833-A2 A NEW STEREOSELECTIVE ROUTE TO PRODUCE TRIS-O-SUBSTITUTED-(E)-( 3,5-DIHYDROXYPHENYL)-2-(4- HYDROXYPHENYL)ETHENE ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-11-20 WO disclosed
US-6552213-B1 Oxidation and halogenation of such as 3,4',5-tribenzyloxy-dibenzylsulfide; reductive dehalogenation desulfonation; hydrolysis ORCHID CHEMICALS & PHARMACEUTICALS LIMITED, INDIA (IN) 2003-04-22 US disclosed
EP-0934065-A4 PHARMACEUTICAL COMPOUNDS LILLY CO ELI (US) 2000-10-11 EP disclosed
EP-0934065-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-08-11 EP disclosed
WO-1998008505-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 1998-03-05 WO 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-20170157097-A1 METHOD FOR TREATING HEPATIC ENCEPHALOPATHY OR A DISEASE ASSOCIATED WITH FREE RADICAL MEDIATE STRESS AND OXIDATIVE STRESS WITH NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS TXNRD2, KEAP1, GOT2 TSHR 3175/4885MAPK1 1444/4885MAOB 224/4885
US-20040015020-A1 Method for the conversion of a Z-isomer into E-isomer ECH1, CYP1A1, KEAP1 TSHR 3806/4885MAPK1 3605/4885MAOB 1313/4885
US-10004722-B2 Method for treating hepatic encephalopathy or a disease associated with free radical mediate stress and oxidative stress with novel functionalized 1,3-benzene diols TXNRD2, KEAP1, GOT2 TSHR 3175/4885MAPK1 1444/4885MAOB 224/4885

“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.