SCHEMBL1504697

SCHEMBL1504697

[SiH3]C(Cl)(Cl)C(Cl)(Cl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
CYP1A2 P05177 2/20 0.42
KCNN4 O15554 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.35
TAAR1 Q96RJ0 1/20 0.32
ALOX15 P16050 1/20 0.32
PTPN1 P18031 1/20 0.31
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
ESR2 Q92731 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL819164 0.82 TSHR (0.65) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL9672534 0.77 TSHR (0.58) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL7580317 0.77 TSHR (0.58) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL1033284 0.77 TSHR (0.58) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL8321565 0.72 TSHR (0.52) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL15302768 0.72 TSHR (0.52) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL10824244 0.72 TSHR (0.52) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL9022324 0.72 TSHR (0.52) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL7787419 0.70 TSHR (0.50) TSHRCYP1A2KCNN4ALDH1A1MAPK1
SCHEMBL151981 0.69 TSHR (0.65) TSHRCYP1A2KCNN4ALDH1A1MAPK1

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 24 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-6541408-B2 Progressive temperature gradient stabilizes hydrorefining catalysts (metal-modified zeolite) to allow long duration of use and low by-product make EXXONMOBIL OIL CORP. 2003-04-01 US 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-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 TSHR 4495/4885CYP1A2 216/4885KCNN4 737/4885
US-20110166402-A1 Novel Molecular Sieve Composition EMM-13, A Method of Making and a Process of Using the Same EPCAM, CA13, SEC13 TSHR 3958/4885CYP1A2 4463/4885KCNN4 2532/4885
US-20110144401-A1 Process of Making Alkylaromatics Using EMM-13 ALKBH3, ETV6, ALK TSHR 4241/4885CYP1A2 226/4885KCNN4 1342/4885

“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.