SCHEMBL2139591

SCHEMBL2139591

CCCCC([C]=O)([C]=O)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 4/20 0.49
TSHR P16473 3/20 0.49
MAPK1 P28482 3/20 0.49
MEN1 O00255 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
BLM P54132 2/20 0.49
ATM Q13315 2/20 0.49
HIF1A Q16665 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
USP2 O75604 1/20 0.49
CYP2D6 P10635 1/20 0.49
LMNA P02545 3/20 0.47
GMNN O75496 1/20 0.47
GABBR2 O75899 1/20 0.47
TP53 P04637 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL11461405 0.86 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTTSHRMAPK1
SCHEMBL6314161 0.81 NR5A2 (0.45) ALDH1A1KMT2AMAPTTSHRMAPK1
SCHEMBL9119671 0.80 ALDH1A1 (0.64) ALDH1A1KMT2AMAPTTSHRMAPK1
SCHEMBL462662 0.77 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTTSHRMAPK1
SCHEMBL11313082 0.76 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTTSHRMAPK1
SCHEMBL11266255 0.76 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTTSHRMAPK1
SCHEMBL11461218 0.75 ESR1 (0.47) ALDH1A1TSHRMAPK1CYP1A2CYP3A4
SCHEMBL29409199 0.75 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTTSHRMAPK1
SCHEMBL11272441 0.74 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTTSHRMAPK1
SCHEMBL11262061 0.73 ALDH1A1 (0.55) ALDH1A1KMT2AMAPTTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8262945-B2 Stabilization of photochromic systems BASF SE (DE) 2012-09-11 US disclosed
US-7902368-B2 Cationic substituted 2,2,6,6-tetraalkylpiperidinyl alkoxyamines BASF SE (DE) 2011-03-08 US disclosed
EP-1397349-B1 4-IMINO-N-ALKOXY OR OXY-POLYALKYL-PIPERIDINE COMPOUNDS AND THEIR USE AS POLYMERIZATION REGULATORS BASF SE (DE) 2010-12-15 EP disclosed
US-7820248-B2 Coating composition comprising hydroxylamine esters CIBA SPECIALTY CHEMICALS CORP. (US) 2010-10-26 US disclosed
US-7786199-B2 Flame-retardants CIBA SPECIALTY CHEMICALS CORP. (US) 2010-08-31 US disclosed
US-20090312464-A1 Stabilizer mixtures GUGUMUS FRANCOIS 2009-12-17 US disclosed
US-20090306382-A1 CATIONIC ALKOXYAMINES MUEHLEBACH ANDREAS 2009-12-10 US disclosed
EP-1515950-B1 CATIONIC ALKOXYAMINES AND THEIR USE IN PRODUCING NANO PARTICLES FROM NATURAL OR SYNTHETIC CLAYS BASF SE (DE) 2009-12-02 EP disclosed
US-20090289236-A1 STABILIZATION OF PHOTOCHROMIC SYSTEMS DESTRO MARA 2009-11-26 US disclosed
EP-1749051-B1 FLAME-RETARDANTS BASF SE (DE) 2009-11-18 EP disclosed
WO-2001002345-A2 MONO AND MULTIFUNCTIONAL ALKOXYAMINES FOR THE PREPARATION OF FUNCTIONALIZED MACROMERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-01-11 WO disclosed
US-6117995-A OXIDATION OF THE CORRESPONDING HETEROCYCLIC AMINE COMPOUND CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-09-12 US disclosed
WO-2000037508-A1 COMPOSITION AND PROCESS FOR CONTROLLED RADICAL POLYMERIZATION USING MULTIFUNCTIONAL INITIATOR/REGULATOR COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-06-29 WO disclosed
WO-2000014134-A1 GRAFTING OF ETHYLENICALLY UNSATURATED MONOMERS ONTO POLYMERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-16 WO disclosed
WO-2000014135-A1 GRAFTING OF ETHYLENICALLY UNSATURATED MONOMERS ONTO POLYMERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-16 WO disclosed
EP-0916698-A1 Stabilized polyolefin Ciba SC Holding AG (CH) 1999-05-19 EP disclosed
EP-0911362-A1 Stabilized polyolefin Ciba SC Holding AG (CH) 1999-04-28 EP disclosed
US-5597857-A CALCIUM STEARATE CIBA-GEIGY CORPORATION (US) 1997-01-28 US disclosed
EP-0719824-A2 Low-dust granules of plastic additives CIBA-GEIGY AG (CH) 1996-07-03 EP disclosed
US-5350785-A Photostability for molding materials CIBA-GEIGY CORPORATION (US) 1994-09-27 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 (1 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-20090306382-A1 CATIONIC ALKOXYAMINES ALKBH2, ALKBH3, ALKBH5 ALDH1A1 2271/4885KMT2A 230/4885MAPT 2145/4885

“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.