SCHEMBL971331

SCHEMBL971331

c1ccc(CC(OC(Cc2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 3/20 0.47
EPHX1 P07099 2/20 0.46
CYP2D6 P10635 2/20 0.45
SIGMAR1 Q99720 3/20 0.44
ACP3 P15309 1/20 0.44
TAAR1 Q96RJ0 4/20 0.43
MAOA P21397 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC18A2 Q05940 1/20 0.40
ANPEP P15144 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL20680139 0.87 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3EPHX1CYP2D6
SCHEMBL7007924 0.86 HTR2A (0.46) SLC6A2SLC6A4SLC6A3EPHX1SIGMAR1
SCHEMBL9281134 0.86 SMN1; SMN2 (0.46) CYP2D6
SCHEMBL9232177 0.82 MEN1 (0.54) SLC6A4CYP2D6SIGMAR1CYP1A2CYP2C19
SCHEMBL6151732 0.82 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3EPHX1CYP2D6
SCHEMBL4056401 0.82 SIGMAR1 (0.46) SLC6A2SLC6A4SLC6A3EPHX1CYP2D6
SCHEMBL675684 0.82 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3EPHX1CYP2D6
SCHEMBL10839778 0.82 SRR (0.46) SLC6A2SLC6A4SLC6A3EPHX1SIGMAR1
SCHEMBL3676400 0.82 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3EPHX1CYP2D6
SCHEMBL1520793 0.82 IDO1 (0.50) SLC6A2SLC6A4SLC6A3EPHX1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392317-B2 Methods of producing para-xylene and terephthalic acid MICROMIDAS, INC. (US) 2019-08-27 US claimed
US-20150266793-A1 METHODS OF PRODUCING PARA-XYLENE AND TEREPHTHALIC ACID MICROMIDAS, INC. (US) 2015-09-24 US claimed
EP-2895446-A1 METHODS OF PRODUCING PARA-XYLENE AND TEREPHTHALIC ACID Micromidas, Inc. (US) 2015-07-22 EP claimed
US-8889938-B2 Methods of producing para-xylene MICROMIDAS, INC. (US) 2014-11-18 US claimed
WO-2014043468-A1 METHODS OF PRODUCING PARA-XYLENE AND TEREPHTHALIC ACID MICROMIDAS INC. (US) 2014-03-20 WO claimed
US-20130245316-A1 METHODS OF PRODUCING PARA-XYLENE AND TEREPHTHALIC ACID MICROMIDAS, INC. (US) 2013-09-19 US claimed
US-4563514-A Curable polysilarylene-polysiloxane copolymers GENERAL ELECTRIC COMPANY (US) 1986-01-07 US claimed
US-4518806-A Production of aryl alkyl ethers from methylbenzyl alcohol using bis-(dithiobenzyl)nickel(II) catalyst ATLANTIC RICHFIELD COMPANY (US) 1985-05-21 US claimed
CN-113173836-B Method for synthesizing borane-catalyzed symmetrical ether 南京晓庄学院 2023-04-14 CN disclosed
US-10392317-B2 Methods of producing para-xylene and terephthalic acid MICROMIDAS, INC. (US) 2019-08-27 US disclosed
US-10364210-B2 Diamine compounds, dinitro compounds and other compounds, and methods of producing thereof and uses related thereof MICROMIDAS, INC. (US) 2019-07-30 US disclosed
US-10125060-B2 Methods of producing para-xylene and terephthalic acid MICROMIDAS, INC. (US) 2018-11-13 US disclosed
US-20170275236-A1 DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF MICROMIDAS, INC. (US) 2017-09-28 US disclosed
EP-3186236-A1 DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF Micromidas, Inc. (US) 2017-07-05 EP disclosed
US-4518806-A Production of aryl alkyl ethers from methylbenzyl alcohol using bis-(dithiobenzyl)nickel(II) catalyst ATLANTIC RICHFIELD COMPANY (US) 1985-05-21 US disclosed
US-4514576-A Production of aryl alkyl ethers from methylbenzyl alcohol using rhenium heptoxide catalyst ATLANTIC RICHFIELD COMPANY (US) 1985-04-30 US disclosed
US-4389516-A POLYFUNCTIONAL MALEIMIDE OR CYANATE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1983-06-21 US disclosed
US-4376174-A WITH POLYSILOXANES SHIN-ETSU CHEMICAL CO., LTD. (JP) 1983-03-08 US disclosed
US-4252624-A FREE RADICAL CATALYST, WATER ELI LILLY AND COMPANY (US) 1981-02-24 US disclosed
US-4042603-A SUBSTITUTED DIBENZOFURAN OR 9-FLUORENONE FROM A DIPHENYL ETHER OR BENZOPHENONE UBE INDUSTRIES, LTD. (JA) 1977-08-16 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 (6 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-10125060-B2 Methods of producing para-xylene and terephthalic acid DCXR, DDT, HPD SLC6A2 4230/4885SLC6A4 2981/4885SLC6A3 4103/4885
US-20170275236-A1 DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF DDC, DDT, DAO SLC6A2 1486/4885SLC6A4 748/4885SLC6A3 1221/4885
US-20130245316-A1 METHODS OF PRODUCING PARA-XYLENE AND TEREPHTHALIC ACID DCXR, DDT, HPD SLC6A2 4230/4885SLC6A4 2981/4885SLC6A3 4103/4885
US-10392317-B2 Methods of producing para-xylene and terephthalic acid DCXR, DDT, HPD SLC6A2 4230/4885SLC6A4 2981/4885SLC6A3 4103/4885
US-10364210-B2 Diamine compounds, dinitro compounds and other compounds, and methods of producing thereof and uses related thereof DDC, DDT, DAO SLC6A2 1486/4885SLC6A4 748/4885SLC6A3 1221/4885
US-20150266793-A1 METHODS OF PRODUCING PARA-XYLENE AND TEREPHTHALIC ACID DCXR, DDT, HPD SLC6A2 4230/4885SLC6A4 2981/4885SLC6A3 4103/4885

“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.