SCHEMBL1504696

SCHEMBL1504696

ClC(Cc1ccccc1)[Si](Cl)(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
TAAR1 Q96RJ0 4/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
SIGMAR1 Q99720 2/20 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 1/20 0.41
SLC18A2 Q05940 1/20 0.40
ANPEP P15144 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
TRPA1 O75762 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
SCHEMBL1579779 0.79 CA1 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL266282 0.75 EPHX1 (0.64) EPHX1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL5493527 0.74 SIGMAR1 (0.52) EPHX1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL252017 0.74 EPHX1 (0.55) EPHX1TAAR1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL10923923 0.73 EPHX1 (0.61) EPHX1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL28704914 0.73 SLC6A2 (0.48) EPHX1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL2101607 0.73 EPHX1 (0.43) EPHX1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL2520624 0.71 ANPEP (0.50) EPHX1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL5146904 0.70 EPHX1 (0.50) EPHX1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL66064 0.70 SIGMAR1 (0.58) EPHX1TAAR1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763001-B1 SELECTIVE PRODUCTION OF PARA-DIALKYL SUBSTITUTED BENZENES MOBIL OIL CORP (US) 1999-09-08 EP claimed
EP-0128721-B1 SILICA-MODIFIED CATALYST AND USE FOR SELECTIVE PRODUCTION OF PARA-DIALKYL SUBSTITUTED BENZENES MOBIL OIL CORPORATION (US) 1989-07-26 EP claimed
EP-2323951-B1 A NOVEL MOLECULAR SIEVE COMPOSITION EMM-13 AND A PROCESS OF USING THE SAME EXXONMOBIL CHEMICAL PATENTS INC (US) 2018-10-31 EP disclosed
EP-2331465-B1 PROCESS OF MAKING ALKYLAROMATICS USING EMM-13 EXXONMOBIL CHEMICAL PATENTS INC (US) 2018-08-29 EP disclosed
US-8704023-B2 Molecular sieve composition EMM-13, a method of making and a process of using the same EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-04-22 US disclosed
US-8212096-B2 Hydroalkylation of aromatic compounds using EMM-13 EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-07-03 US disclosed
US-8198496-B2 Process of making alkylaromatics using EMM-13 EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-06-12 US disclosed
US-20110166402-A1 Novel Molecular Sieve Composition EMM-13, A Method of Making and a Process of Using the Same EXXONMOBIL CHEMICAL PATENTS INC. 2011-07-07 US disclosed
US-20110144401-A1 Process of Making Alkylaromatics Using EMM-13 EXXONMOBIL CHEMICAL PATENTS INC. 2011-06-16 US disclosed
EP-2331465-A1 PROCESS OF MAKING ALKYLAROMATICS USING EMM-13 ExxonMobil Chemical Patents Inc. (US) 2011-06-15 EP disclosed
EP-2323951-A1 A NOVEL MOLECULAR SIEVE COMPOSITION EMM-13, A METHOD OF MAKING AND A PROCESS OF USING THE SAME ExxonMobil Chemical Patents Inc. (US) 2011-05-25 EP disclosed
US-20020091293-A1 Zeolite catalysts having stabilized hydrogenation-dehydrogenation function EXXONMOBIL OIL CORPORATION 2002-07-11 US disclosed
US-6346498-B1 PERMEATING METAL INTO MOLECULAR SIEVE; IN SITU SELECTIVATION WITH SILICON COMPOUND AND ROASTING; BY-PRODUCT INHIBITION EXXONMOBIL OIL CORPORATION 2002-02-12 US disclosed
US-20010051754-A1 PLURAL STAGE TOLUENE DISPROPORTIONATION PROCESS MINIMIZING ETHYLBENZENE MOBIL OIL CORPORATION 2001-12-13 US disclosed
US-6207871-B1 CONVERTING A HYDROCARBON FEEDSTREAM COMPRISING ETHYLBENZENE AND META-XYLENE OVER MOLECULAR SIEVE CATALYST UNDER ETHYLBENZENE CONVERSION CONDITIONS, MOBIL OIL CORPORATION 2001-03-27 US disclosed
WO-2001009067-A1 PLURAL STAGE TOLUENE DISPROPORTIONATION PROCESS MINIMIZING ETHYLBENZENE PRODUCTION MOBIL OIL CORPORATION (US) 2001-02-08 WO disclosed
US-4575559-A Process for preparing certain sulfophenethylsiloxanes BASF WYANDOTTE CORPORATION (US) 1986-03-11 US disclosed
US-4532368-A Passing mixture of phenol, ortho-alkylphenol, alkylating agent through zeolite catalyst, separating and recycling ortho-alkylphenols ETHYL CORPORATION (US) 1985-07-30 US disclosed
US-4444989-A Methylation of toluene to para-xylene catalyzed by crystalline silica E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-04-24 US disclosed
US-4283306-A CATALYTIC METHYLATION OF TOLUENE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-08-11 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 (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-20020091293-A1 Zeolite catalysts having stabilized hydrogenation-dehydrogenation function HDHD5, HSF1, HRH4 EPHX1 2076/4885TAAR1 3604/4885SLC6A2 2370/4885
US-20110166402-A1 Novel Molecular Sieve Composition EMM-13, A Method of Making and a Process of Using the Same EPCAM, CA13, SEC13 EPHX1 4404/4885TAAR1 4827/4885SLC6A2 4831/4885
US-20110144401-A1 Process of Making Alkylaromatics Using EMM-13 ALKBH3, ETV6, ALK EPHX1 3411/4885TAAR1 4041/4885SLC6A2 4408/4885

“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.