SCHEMBL416169

SCHEMBL416169

CCCCCCC[C@H]1C[C@H]1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.59
GABRR1 P24046 4/20 0.47
GABRR2 P28476 1/20 0.47
ALDH1A1 P00352 5/20 0.44
S1PR3 Q99500 2/20 0.44
TSHR P16473 5/20 0.43
PPARG P37231 6/20 0.40
PPARD Q03181 6/20 0.40
PPARA Q07869 6/20 0.40
HDAC11 Q96DB2 5/20 0.40
GPR84 Q9NQS5 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
TLR2 O60603 2/20 0.40
FABP4 P15090 2/20 0.40
PTPN1 P18031 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL10884586 1.00 ALOX5 (0.59) ALOX5GABRR1GABRR2ALDH1A1S1PR3
SCHEMBL17779535 1.00 ALOX5 (0.59) ALOX5GABRR1GABRR2ALDH1A1S1PR3
SCHEMBL417928 1.00 ALOX5 (0.59) ALOX5GABRR1GABRR2ALDH1A1S1PR3
SCHEMBL3491458 1.00 ALOX5 (0.59) ALOX5GABRR1GABRR2ALDH1A1S1PR3
SCHEMBL11213402 1.00 ALOX5 (0.59) ALOX5GABRR1GABRR2ALDH1A1S1PR3
SCHEMBL11414522 1.00 ALOX5 (0.59) ALOX5GABRR1GABRR2ALDH1A1S1PR3
SCHEMBL24354392 1.00 ALOX5 (0.59) ALOX5GABRR1GABRR2ALDH1A1S1PR3
SCHEMBL301664 1.00 ALOX5 (0.59) ALOX5GABRR1GABRR2ALDH1A1S1PR3
SCHEMBL17779527 1.00 ALOX5 (0.59) ALOX5GABRR1GABRR2ALDH1A1S1PR3
SCHEMBL21972780 1.00 ALOX5 (0.59) ALOX5GABRR1GABRR2ALDH1A1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754675-B2 2-heptylcyclopropyl-1-carboxylic acid SYMRISE GMBH & CO. KG (DE) 2010-07-13 US claimed
US-20060128603-A1 2-heptylcyclopropyl-1-carboxylic acid SYMRISE GMBH & CO. KG (DE) 2006-06-15 US claimed
EP-1565423-B1 2-HEPTYLCYCLOPROPYL-1-CARBOXYLIC ACID SYMRISE GMBH & CO KG (DE) 2006-06-07 EP claimed
EP-3800179-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2021-04-07 EP disclosed
EP-3656765-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2020-05-27 EP disclosed
EP-3653600-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2020-05-20 EP disclosed
EP-3650439-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2020-05-13 EP disclosed
EP-3636629-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2020-04-15 EP disclosed
EP-3287447-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2018-02-28 EP disclosed
CN-106831456-A The salt or eutectic of 3 (methyl-propyl of 3 dimethylamino, 1 ethyl 2) phenol 格吕伦塔尔有限公司 2017-06-13 CN disclosed
CN-105218386-A The salt of 3-(3-dimethylamino-1-Ethyl-2-Methyl-propyl group)-phenol or eutectic GRUENENTHAL GMBH 2016-01-06 CN disclosed
US-9133142-B2 Salts or co-crystals of 3-(3-dimethylamino-1-ethyl-2-methyl-propyl)-phenol GRUENENTHAL GMBH (DE) 2015-09-15 US disclosed
CN-103153971-A Salts or co-crystals of 3- (3-dimethylamino-1-ethyl-2-methyl-propyl) -phenol GRUENENTHAL GMBH 2013-06-12 CN disclosed
EP-2595971-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2013-05-29 EP disclosed
US-20120022117-A1 Salts or Co-Crystals of 3-(3-dimethylamino-1-ethyl-2-methyl-propyl)-phenol GRUENENTHAL GMBH (DE) 2012-01-26 US disclosed
WO-2012010316-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2012-01-26 WO disclosed
US-7754675-B2 2-heptylcyclopropyl-1-carboxylic acid SYMRISE GMBH & CO. KG (DE) 2010-07-13 US disclosed
US-7754675-B2 2-heptylcyclopropyl-1-carboxylic acid SYMRISE GMBH & CO. KG (DE) 2010-07-13 US disclosed
US-20060128603-A1 2-heptylcyclopropyl-1-carboxylic acid SYMRISE GMBH & CO. KG (DE) 2006-06-15 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-20120022117-A1 Salts or Co-Crystals of 3-(3-dimethylamino-1-ethyl-2-methyl-propyl)-phenol RCC2, EP300, SIGMAR1 ALOX5 2616/4885GABRR1 3659/4885GABRR2 3915/4885

“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.