SCHEMBL6677146

SCHEMBL6677146

CCCCCCCCOc1cccc(OCCCCCCCC)c1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.76
PLA2G4B P0C869 3/20 0.62
SMPD1 P17405 3/20 0.61
LTA4H P09960 2/20 0.60
GPBAR1 Q8TDU6 2/20 0.58
NR5A1 Q13285 1/20 0.57
GGPS1 O95749 2/20 0.56
THRA P10827 1/20 0.55
THRB P10828 1/20 0.55
PLA2G2A P14555 1/20 0.55
CYSLTR2 Q9NS75 1/20 0.54
CYSLTR1 Q9Y271 1/20 0.54

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
SCHEMBL17138169 1.00 TSHR (0.76) TSHRPLA2G4BSMPD1LTA4HGPBAR1
SCHEMBL16699620 1.00 TSHR (0.76) TSHRPLA2G4BSMPD1LTA4HGPBAR1
SCHEMBL17138159 1.00 TSHR (0.76) TSHRPLA2G4BSMPD1LTA4HGPBAR1
SCHEMBL4208924 1.00 TSHR (0.76) TSHRPLA2G4BSMPD1LTA4HGPBAR1
SCHEMBL3905859 1.00 TSHR (0.76) TSHRPLA2G4BSMPD1LTA4HGPBAR1
SCHEMBL11663051 0.98 TSHR (0.72) TSHRPLA2G4BSMPD1LTA4HGPBAR1
SCHEMBL15923563 0.96 TSHR (0.71) TSHRPLA2G4BSMPD1LTA4HGPBAR1
SCHEMBL15923791 0.94 TSHR (0.69) TSHRPLA2G4BSMPD1LTA4HGPBAR1
1-Propoxy-3-Pentoxybenzene SCHEMBL4568913 0.94 TSHR (0.68) TSHRPLA2G4BSMPD1LTA4HGPBAR1
SCHEMBL9817867 0.92 TSHR (0.67) TSHRPLA2G4BSMPD1LTA4HGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP claimed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO claimed
US-20170336728-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2017-11-23 US disclosed
EP-3242897-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF C/o Canon Kabushiki Kaisha (JP) 2017-11-15 EP disclosed
WO-2016111380-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2016-07-14 WO disclosed
US-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF RNS CO.,LTD. (KR) 2015-10-08 US disclosed
EP-1109791-B1 PROCESS FOR MAKING 2-(2-HYDROXY-4-ALKOXYPHENYL)-4,6-BISARYL-1,3,5-TRIAZINES CYTEC TECH CORP (US) 2004-11-03 EP disclosed
WO-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 WO disclosed
US-20030065178-A1 Process for making 2-hydroxy-4-alkoxyphenyl or 2,4-dihydroxyphenyl substituted 1,3,5-triazine UV absorbers GUPTA RAM B (US) 2003-04-03 US disclosed
US-6486317-B1 Process for making 2-hydroxy-4-alkoxyphenyl or 2,4-dihydroxyphenyl substituted 1,3,5-triazine UV absorbers CIBA SPECIALTY CHEMICALS CORPORATION 2002-11-26 US disclosed
US-6297378-B1 CATALYZED REACTION OF ARYL ETHERS AND HALOGENATED TRIAZINE COMPOUNDS. CYTEC TECHNOLOGY CORP. 2001-10-02 US disclosed
EP-1109793-A1 PROCESS FOR MAKING 2-HYDROXY-4-ALKOXYPHENYL OR 2,4-DIHYDROXYPHENYL SUBSTITUTED 1,3,5-TRIAZINE UV ABSORBERS Ciba SC Holding AG (CH) 2001-06-27 EP disclosed
EP-1109791-A1 PROCESS FOR MAKING 2-(2-HYDROXY-4-ALKOXYPHENYL)-4,6-BISARYL-1,3,5-TRIAZINES CYTEC TECHNOLOGY CORP. (US) 2001-06-27 EP disclosed
WO-2000014075-A1 PROCESS FOR MAKING 2-(2-HYDROXY-4-ALKOXYPHENYL)-4,6-BISARYL-1,3,5-TRIAZINES CYTEC TECHNOLOGY CORP. (US) 2000-03-16 WO disclosed
WO-2000014074-A1 PROCESS FOR MAKING 2-HYDROXY-4-ALKOXYPHENYL OR 2,4-DIHYDROXYPHENYL SUBSTITUTED 1,3,5-TRIAZINE UV ABSORBERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-16 WO disclosed
EP-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP disclosed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO disclosed
US-4309500-A CONTAINING ABSORBER OF ULTRAVIOLET LIGHT FUJI PHOTO FILM CO., LTD. (JP) 1982-01-05 US disclosed
US-4191576-A SULFONYL-SUBSTITUTED PYRROLIDINE, OXAZOLIDINE OR THIAZOLIDINE FUJI PHOTO FILM CO., LTD. (JP) 1980-03-04 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-20030065178-A1 Process for making 2-hydroxy-4-alkoxyphenyl or 2,4-dihydroxyphenyl substituted 1,3,5-triazine UV absorbers UGT1A4, DHPS, CYP4Z1 TSHR 3686/4885PLA2G4B 4378/4885SMPD1 4662/4885
US-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF HRH3, CBR3, H1-0 TSHR 4026/4885PLA2G4B 2576/4885SMPD1 3431/4885

“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.