SCHEMBL716438

SCHEMBL716438

CC1(C)CCCC(C)(C)N1C(CCCCCCCC(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.39
NFKB1 P19838 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
FFAR1 O14842 2/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GSTK1 Q9Y2Q3 1/20 0.37
LMNA P02545 1/20 0.36
PMP22 Q01453 1/20 0.36
GPR84 Q9NQS5 6/20 0.35
PPARG P37231 6/20 0.35
PPARD Q03181 6/20 0.35
PPARA Q07869 6/20 0.35
HDAC11 Q96DB2 5/20 0.35
TLR2 O60603 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
FABP4 P15090 2/20 0.35
PTPN1 P18031 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35

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
SCHEMBL27460275 0.87 CYP2C19 (0.43) TSHRNFKB1CYP2C19ALDH1A1LMNA
SCHEMBL561948 0.84 FFAR4 (0.34) TSHRNFKB1FFAR4FFAR1CYP2C19
SCHEMBL2052956 0.82 FFAR4 (0.39) TSHRNFKB1FFAR4FFAR1CYP2C19
SCHEMBL11809146 0.75 FOLH1 (0.42) TSHRNFKB1FFAR4FFAR1CYP2C19
SCHEMBL9513447 0.75 FFAR4 (0.34) TSHRNFKB1FFAR4FFAR1CYP2C19
Octanedioate SCHEMBL30741313 0.75 TSHR (0.46) TSHRNFKB1FFAR4FFAR1ALDH1A1
Sebacic Acid SCHEMBL28325940 0.75 TSHR (0.46) TSHRNFKB1FFAR4FFAR1ALDH1A1
Sebacic Acid SCHEMBL7179944 0.75 TSHR (0.46) TSHRNFKB1FFAR4FFAR1ALDH1A1
Sebacic Acid SCHEMBL480504 0.75 TSHR (0.46) TSHRNFKB1FFAR4FFAR1ALDH1A1
SCHEMBL17537055 0.74 CA2 (0.42) TSHRNFKB1FFAR4FFAR1CYP2C19

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102171613-B Ultraviolet light absorbing ketones of 2- (2-hydroxyphenyl) benzotriazole CHANG CHIA-HU 2013-06-05 CN claimed
EP-3189099-B1 HYDROXYBENZOPHENONE-BASED STABILIZERS AND POLYMERS END-CAPPED WITH THE SAME SOLVAY SPECIALTY POLYMERS USA (US) 2018-07-11 EP disclosed
CN-105602102-A Low-density, high-strength and scratch-resistant modified polypropylene composite material and preparation method thereof SHANGHAI PRET COMPOSITES CO 2016-05-25 CN disclosed
CN-103524682-B Reaction is extruded and is prepared the method for high melt strength, propylene from aggressiveness ZHEJIANG UNIVERSITY (CN) 2016-05-04 CN disclosed
US-8354529-B2 Polyamine derivative and polyol derivative BASF SE (DE) 2013-01-15 US disclosed
EP-2511274-A2 Polyamine derivative BASF SE (DE) 2012-10-17 EP disclosed
EP-2484677-A1 Polyamine derivative BASF SE (DE) 2012-08-08 EP disclosed
US-20120053270-A1 POLYAMINE DERIVATIVE AND POLYOL DERIVATIVE MITA NARUYOSHI (JP) 2012-03-01 US disclosed
US-8076478-B2 Stabilizer; photostability, heat resistance, ozone resistance, oxidation resistance, electromagnetic resistance BASF SE (DE) 2011-12-13 US disclosed
US-20080230743-A1 Polyamine Derivative and Polyol Derivative CIBA CORPORATION 2008-09-25 US disclosed
EP-1840127-A1 POLYAMINE DERIVATIVE AND POLYOL DERIVATIVE Ciba Specialty Chemicals Holding Inc. (CH) 2007-10-03 EP disclosed
CN-1184117-A Novel alpha-aminoacetophenone photoinitiators CIBA SC HOLDING AG (CH) 1998-06-10 CN disclosed
EP-0708138-A1 Amine stabilized amorphous phosphite GENERAL ELECTRIC COMPANY (US) 1996-04-24 EP 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-20120053270-A1 POLYAMINE DERIVATIVE AND POLYOL DERIVATIVE H1-0, H1-3, NPM1 TSHR 1497/4885NFKB1 2408/4885FFAR4 3369/4885
US-20080230743-A1 Polyamine Derivative and Polyol Derivative H1-0, H1-3, H1-2 TSHR 1217/4885NFKB1 2263/4885FFAR4 3174/4885

“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.