SCHEMBL828819

SCHEMBL828819

CCCCCCCCCCc1[c]cc(CCCCCCCCCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.50
ESR1 P03372 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
SHBG P04278 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSPD1 P10809 1/20 0.50
ADRB3 P13945 1/20 0.50
HTR2C P28335 1/20 0.50
HSPE1 P61604 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL10512613 1.00 PTGS2 (0.50) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL1778094 1.00 PTGS2 (0.50) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL829405 1.00 PTGS2 (0.50) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4762927 0.98 ESR1 (0.48) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4304642 0.98 ESR1 (0.47) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL1539433 0.92 CA2 (0.42) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL8780465 0.91 ESR1 (0.48) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL10962003 0.89 DNM1 (0.46) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL21268375 0.86 CA2 (0.37) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL192374 0.81 PTGS2 (0.50) PTGS2ESR1ADRA2AADORA3TACR2

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
EP-1569751-B1 METHODS FOR PREPARING CATALYSTS EXXONMOBIL RES & ENG CO (US) 2015-10-07 EP disclosed
EP-1718596-B1 CATALYTIC PREPARATION OF SEVERELY STERICALLY HINDERED AMINO-ETHER ALCOHOLS USING A METAL LOADED CATALYST EXXONMOBIL RES & ENG CO (US) 2014-08-27 EP disclosed
US-8288025-B2 High performance polymeric blend membrane materials based on N-heterocycles and acid-base interactions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-10-16 US disclosed
US-8143438-B2 Hydrogenation processes EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-03-27 US disclosed
CN-1717278-B Process for preparing catalyst EXXONMOBIL RES & ENG CO 2011-07-13 CN disclosed
US-20110082311-A1 Hydrogenation Processes EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2011-04-07 US disclosed
US-7875742-B2 hydrogenating organic compounds by contacting with hydrogen-containing gas in presence of catalyst which comprises catalytically active metals applied to porous catalyst support; catalytically active metals having been derived via decomposed amine complex of metal on support EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-01-25 US disclosed
US-20100184895-A1 Hydrogenation Processes EXXONMOBOIL RESEARCH AND ENGINEERING COMPANY 2010-07-22 US disclosed
US-7732634-B2 hydrogenating organic compounds by contacting with hydrogen-containing gas in presence of catalyst which comprises catalytically active metals applied to porous catalyst support; catalytically active metals having been derived via decomposed amine complex of metal on support EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-06-08 US disclosed
CN-100572355-C Catalytic preparation of severely sterically hindered amino-ether alcohols using metal-supported catalysts EXXONMOBIL RES & ENG CO (US) 2009-12-23 CN disclosed
EP-1569751-A2 METHODS FOR PREPARING CATALYSTS ExxonMobil Research and Engineering Company (US) 2005-09-07 EP disclosed
CN-1642645-A Treatment of acid catalysts with nitrogen compounds EXXONMOBIL CHEM PATENTS INC (US) 2005-07-20 CN disclosed
US-6916965-B2 Treatment of acid catalysts EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-07-12 US disclosed
EP-1490172-A1 TREATMENT OF ACID CATALYSTS WITH NITROGEN COMPOUNDS ExxonMobil Chemical Patents Inc. (US) 2004-12-29 EP disclosed
US-20040157732-A1 Treating an activated metalloaluminophosphate molecular sieve with one or more nitrogen containing compounds (aliphatic, aromatic, hetetrocycic or organonitrile compounds) to chemisorb and/or physisorb nitrogen-compound EXXONMOBIL CHEMICAL PATENTS INC. 2004-08-12 US disclosed
US-6756516-B2 Treatment of acid catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2004-06-29 US disclosed
WO-2004046076-A2 HYDROGENATION CATALYST, PREPARATION THEREOF AND HYDROGENATION PROCESSES USING THIS CATALYST EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2004-06-03 WO disclosed
WO-2004045767-A2 METHODS FOR PREPARING CATALYSTS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2004-06-03 WO disclosed
WO-2003084661-A1 TREATMENT OF ACID CATALYSTS WITH NITROGEN COMPOUNDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-10-16 WO disclosed
US-20030004056-A1 Treatment of acid catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2003-01-02 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-20110082311-A1 Hydrogenation Processes HAO2, HVCN1, AOC3 PTGS2 587/4885ESR1 1833/4885ADRA2A 3404/4885
US-20100184895-A1 Hydrogenation Processes HAO2, HVCN1, AOC3 PTGS2 587/4885ESR1 1833/4885ADRA2A 3404/4885

“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.