SCHEMBL317177

SCHEMBL317177

CC1(C)CC(C(CC(=O)O)(C(=O)O)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 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
SCHEMBL5889385 0.86 TSHR (0.33) CYP2D6TSHRCYP2C19HIF1A
SCHEMBL5448838 0.83 MEN1 (0.33) GAAL3MBTL1ALDH1A1
SCHEMBL10581226 0.82
SCHEMBL7476142 0.82 CYP2D6 (0.33) CYP2D6TSHRCYP2C19HIF1A
SCHEMBL4961981 0.81 CYP2D6 (0.35) GAAL3MBTL1CYP2D6TSHRCYP2C19
SCHEMBL11200066 0.81
SCHEMBL316373 0.81 GAA (0.30) GAAL3MBTL1
SCHEMBL11200071 0.81
SCHEMBL9784297 0.80 TSHR (0.43) GAACYP2D6TSHRCYP2C19HIF1A
SCHEMBL5458895 0.80 LMNA (0.32) TSHRALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180346834-A1 COAL DUST TREATMENT METHODS AND COMPOSITIONS GENERAL ELECTRIC COMPANY (US) 2018-12-06 US claimed
EP-2876099-B1 Norbornadiene purification method AIR LIQUIDE (FR) 2017-11-15 EP claimed
US-9725649-B2 Amine and nitroxide based additive composition for control and inhibition of polymerization of styrene, and method of use thereof DORF KETAL CHEMICALS (INDIA) PRIVATE LIMITED (IN) 2017-08-08 US claimed
EP-2876098-B1 Extractive distillation in a norbornadiene purification method AIR LIQUIDE (FR) 2016-07-13 EP claimed
US-9334445-B2 Amine based additive composition for control and inhibition of polymerization of styrene, and method of use thereof DORF KETAL CHEMICALS (INDIA) PRIVATE LIMITED (IN) 2016-05-10 US claimed
EP-2785669-B1 AMINE BASED ADDITIVE COMPOSITION FOR CONTROL AND INHIBITION OF POLYMERIZATION OF STYRENE, AND METHOD OF USE THEREOF DORF KETAL CHEMICALS INDIA PRIVATE LTD (IN) 2016-02-03 EP claimed
EP-2785780-B1 AMINE AND NITROXIDE BASED ADDITIVE COMPOSITION FOR CONTROL AND INHIBITION OF POLYMERIZATION OF STYRENE, AND METHOD OF USE THEREOF DORF KETAL CHEMICALS INDIA PRIVATE LTD (IN) 2015-07-01 EP claimed
WO-2015074874-A1 EXTRACTIVE DISTILLATION IN A NORBORNADIENE PURIFICATION METHOD L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2015-05-28 WO claimed
WO-2015074875-A1 NORBORNADIENE PURIFICATION METHOD L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2015-05-28 WO claimed
EP-2876098-A1 Extractive distillation in a norbornadiene purification method L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2015-05-27 EP claimed
EP-0988273-B1 POLYMERIZATION INHIBITION OF ACRYLATES USING BLENDS OF NITROXIDES ONDEO NALCO ENERGY SERV LP (US) 2002-09-18 EP claimed
US-20020123658-A1 Recycle of nitroxyl-containing streams at low temperature CROMPTON CORPORATION 2002-09-05 US claimed
US-20020040174-A1 Polymerisation inhibitor A H MARKS AND COMPANY LIMITED 2002-04-04 US claimed
EP-0845448-B1 Inhibiting polymerization of vinyl aromatic monomers ONDEO NALCO ENERGY SERV LP (US) 2002-01-30 EP claimed
EP-0963971-B1 Method for inhibiting polymer formation in styrene processing NALCO EXXON ENERGY CHEM LP (US) 2001-11-07 EP claimed
EP-0703220-B1 Process for the preparation of N-oxyl hindered amine esters using tetraalkyl orthotitanate tranesterification catalysts CIBA SC HOLDING AG (CH) 2001-01-03 EP claimed
EP-0794933-B1 A METHOD FOR INHIBITING PREMATURE POLYMERIZATION OF VINYL AROMATIC MONOMERS CIBA SC HOLDING AG (CH) 2000-01-05 EP claimed
US-5711767-A AMINES, PHENOLIC COMPOUNDS AND NITROXIDE CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-01-27 US claimed
EP-0581737-B1 Inhibiting polymerization of vinyl aromatic monomers CIBA GEIGY AG (CH) 1997-04-23 EP claimed
US-5545782-A USING A STABLE HINDERED NITROXYL COMPOUND CIBA-GEIGY CORPORATION (US) 1996-08-13 US claimed

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-20020040174-A1 Polymerisation inhibitor ECI1, CCNI, ETFB GAA 2673/4885L3MBTL1 2090/4885CYP2D6 2622/4885
US-20020123658-A1 Recycle of nitroxyl-containing streams at low temperature NQO2, NOS2, NOS1 GAA 2720/4885L3MBTL1 3238/4885CYP2D6 1490/4885

“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.