SCHEMBL1228538

SCHEMBL1228538

CC(C)(C)c1cc(C=Nc2ccccc2N=Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.57
PTGS2 P35354 4/20 0.57
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALOX12 P18054 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HIF1A Q16665 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 3/20 0.42

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
SCHEMBL29583508 1.00 ALOX5 (0.57) ALOX5PTGS2CA12CA2CA9
SCHEMBL18859066 1.00 ALOX5 (0.57) ALOX5PTGS2CA12CA2CA9
SCHEMBL1228536 1.00 ALOX5 (0.57) ALOX5PTGS2CA12CA2CA9
SCHEMBL1229792 0.98 ALOX5 (0.56) ALOX5PTGS2CA12CA2CA9
Hydrochloric Acid SCHEMBL22653280 0.97 ALOX5 (0.55) ALOX5PTGS2CA12CA2CA9
SCHEMBL18859049 0.93 ALOX5 (0.52) ALOX5PTGS2CA12CA2CA9
Acetic Acid SCHEMBL1229222 0.92 ALOX5 (0.57) ALOX5PTGS2CA12CA2CA9
SCHEMBL10182423 0.92 ALOX5 (0.53) ALOX5PTGS2CYP1A2CYP3A4CYP2C9
SCHEMBL17152747 0.90 ALOX5 (0.52) ALOX5PTGS2CA12CA2CA9
SCHEMBL21779782 0.90 ALOX5 (0.52) ALOX5PTGS2CA12CA2CA9

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
US-11692436-B2 Molecular tracers and modified proppants for monitoring underground fluid flows NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2023-07-04 US disclosed
US-11530458-B2 Methods of using multi-ligand metal complexes to perform oxidative catalytic pretreatment of lignocellulosic biomass BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2022-12-20 US disclosed
US-11179708-B2 Compositions and methods for selective carbonylation of heterocyclic compounds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-11-23 US disclosed
US-20210189866-A1 MOLECULAR TRACERS AND MODIFIED PROPPANTS FOR MONITORING UNDERGROUND FLUID FLOWS NAT TECH & ENG SOLUTIONS SANDIA LLC (US) 2021-06-24 US disclosed
US-10871066-B1 Molecular tracers and modified proppants for monitoring underground fluid flows NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2020-12-22 US disclosed
US-20200332376-A1 ECONOMICAL METHODS FOR PERFORMING OXIDATIVE CATALYTIC PRETREATMENT OF PLANT BIOMASS USING A HOMOGENEOUS CATALYST SYSTEM UNITED STATES DEPARTMENT OF ENERGY 2020-10-22 US disclosed
US-20200164353-A1 COMPOSITIONS AND METHODS FOR SELECTIVE CARBONYLATION OF HETEROCYCLIC COMPOUNDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-05-28 US disclosed
US-10626127-B1 Thallium salen fluorescent tracers NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2020-04-21 US disclosed
EP-3464418-A2 POLYMERS, PROCESSES, COMPOSITIONS&USES DSM IP Assets B.V. (NL) 2019-04-10 EP disclosed
US-20190091674-A1 METHODS OF USING MULTI-LIGAND METAL COMPLEXES TO PERFORM OXIDATIVE CATALYTIC PRETREATMENT OF LIGNOCELLULOSIC BIOMASS UNITED STATES DEPARTMENT OF ENERGY 2019-03-28 US disclosed
US-8481756-B1 Succinic anhydrides from epoxides CORNELL RESEARCH FOUNDATION, INC. (US) 2013-07-09 US disclosed
US-20120149601-A1 Methods and systems for detection of nitroalkyl, nitroamine, nitroaromatic and peroxide compounds UNIVERSITY OF MASSACHUSETTS 2012-06-14 US disclosed
US-8026317-B2 Polymerization of C3 to Cc10 alkyl epoxide in presence of coordination catalyst containing cobalt ans Schiff base CORNELL RESEARCH FOUNDATION, INC. (US) 2011-09-27 US disclosed
US-20110040070-A1 ISOTACTIC POLY(ALKYLENE OXIDE) AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed
EP-1461315-B1 CATALYTIC CARBONYLATION OF THREE AND FOUR MEMBERED HETEROCYCLES CORNELL RES FOUNDATION INC (US) 2009-07-29 EP disclosed
US-20080262164-A1 Isotactic specific catalyst for direct production of highly isotactic poly (propylene oxide) or highly isotactic poly (butylene oxide) CORNELL RESEARCH FOUNDATION INC. (US) 2008-10-23 US disclosed
US-7399822-B2 Isotactic specific catalyst for direct production of highly isotactic poly (propylene oxide) or highly isotactic poly (butylene oxide) CORNELL RESEARCH FOUNDATION, INC. (US) 2008-07-15 US disclosed
US-20060293501-A1 Isotactic specific catalyst for direct production of highly isotactic poly (propylene oxide) or Highly isotactic poly (butylene Oxide) CORNELL RESEARCH FOUNDATION, INC. (US) 2006-12-28 US disclosed
US-6852865-B2 Catalytic carbonylation of three and four membered heterocycles CORNELL RESEARCH FOUNDATION, INC. (US) 2005-02-08 US disclosed
US-20030162961-A1 Catalytic carbonylation of three and four membered heterocycles CORNELL RESEARCH FOUNDATION, INC. 2003-08-28 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 (4 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-20200164353-A1 COMPOSITIONS AND METHODS FOR SELECTIVE CARBONYLATION OF HETEROCYCLIC COMPOUNDS CYCS, CYC1, MT-CO3 ALOX5 860/4885PTGS2 1226/4885CA12 45/4885
US-20080262164-A1 Isotactic specific catalyst for direct production of highly isotactic poly (propylene oxide) or highly isotactic poly (butylene oxide) MSMO1, MDN1, PLD1 ALOX5 50/4885PTGS2 1546/4885CA12 4026/4885
US-11179708-B2 Compositions and methods for selective carbonylation of heterocyclic compounds CYCS, CYC1, MT-CO3 ALOX5 860/4885PTGS2 1226/4885CA12 45/4885
US-20030162961-A1 Catalytic carbonylation of three and four membered heterocycles LOX, CA9, LPO ALOX5 184/4885PTGS2 552/4885CA12 34/4885

“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.