SCHEMBL2440334

SCHEMBL2440334

C=C(C)[C@H](CC=C(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.50
FNTB P49356 5/20 0.50
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
TBXAS1 P24557 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TGFBR1 P36897 1/20 0.31
TSHR P16473 1/20 0.31
PTGES O14684 1/20 0.30

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
SCHEMBL3359833 1.00 FNTA (0.50) FNTAFNTBGRIK1GRIK2KDM4E
SCHEMBL3359834 1.00 FNTA (0.50) FNTAFNTBGRIK1GRIK2KDM4E
SCHEMBL11475484 0.86 FNTA (0.41) FNTAFNTBGRIK1GRIK2TSHR
SCHEMBL3092195 0.85 FNTA (0.63) FNTAFNTBGRIK1GRIK2KDM4E
SCHEMBL13287281 0.81 FNTA (0.38) FNTAFNTBGRIK1GRIK2ALDH1A1
SCHEMBL24901145 0.79 FNTA (0.37) FNTAFNTBGRIK1GRIK2
SCHEMBL28174784 0.79 GRIK1 (0.41) FNTAFNTBGRIK1GRIK2TBXAS1
SCHEMBL11774659 0.78 CYP2D6 (0.40) FNTAFNTBGRIK1GRIK2ALDH1A1
Acetic Acid SCHEMBL592036 0.76 GRIK1 (0.40) FNTAFNTBGRIK1GRIK2KDM4E
SCHEMBL8134708 0.75 GRIK1 (0.47) FNTAFNTBGRIK1GRIK2KDM4E

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
EP-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO claimed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 US claimed
CN-113527079-B Method for preparing 2-isopropenyl-5-methyl-4-hexenoic acid and derivative alcohol and carboxylic ester thereof 信越化学工业株式会社 2023-11-14 CN disclosed
EP-3901125-B1 PROCESSES FOR PREPARING 2-ISOPROPENYL-5-METHYL-4-HEXENOIC ACID, 2-ISOPROPENYL-5-METHYL-4-HEXEN-1-OL, AND A CARBOXYLATE ESTER THEREOF SHINETSU CHEMICAL CO (JP) 2023-01-18 EP disclosed
US-11286227-B2 Processes for preparing 2-isopropenyl-5-methyl-4-hexenoic acid, 2-isopropenyl-5-methyl-4-hexen-1-ol, and a carboxylate ester thereof SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-03-29 US disclosed
EP-3901125-A1 PROCESSES FOR PREPARING 2-ISOPROPENYL-5-METHYL-4-HEXENOIC ACID, 2-ISOPROPENYL-5-METHYL-4-HEXEN-1-OL, AND A CARBOXYLATE ESTER THEREOF Shin-Etsu Chemical Co., Ltd. (JP) 2021-10-27 EP disclosed
CN-113527079-A Method for preparing 2-isopropenyl-5-methyl-4-hexenoic acid and derivative alcohol and carboxylic ester thereof 信越化学工业株式会社 2021-10-22 CN disclosed
US-20210323902-A1 PROCESSES FOR PREPARING 2-ISOPROPENYL-5-METHYL-4-HEXENOIC ACID, 2-ISOPROPENYL-5-METHYL-4-HEXEN-1-OL, AND A CARBOXYLATE ESTER THEREOF SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-10-21 US disclosed
EP-2362765-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2020-04-08 EP disclosed
US-8431520-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2013-04-30 US disclosed
US-20130012422-A1 PERFUME SYSTEMS SMETS JOHAN (BE) 2013-01-10 US disclosed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 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-20210323902-A1 PROCESSES FOR PREPARING 2-ISOPROPENYL-5-METHYL-4-HEXENOIC ACID, 2-ISOPROPENYL-5-METHYL-4-HEXEN-1-OL, AND A CARBOXYLATE ESTER THEREOF IGF1R, HPD, IGF2R FNTA 2364/4885FNTB 3078/4885GRIK1 13/4885
US-20130012422-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 FNTA 3984/4885FNTB 4328/4885GRIK1 3842/4885
US-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 FNTA 3984/4885FNTB 4328/4885GRIK1 3842/4885
US-11286227-B2 Processes for preparing 2-isopropenyl-5-methyl-4-hexenoic acid, 2-isopropenyl-5-methyl-4-hexen-1-ol, and a carboxylate ester thereof IGF1R, HPD, IGF2R FNTA 2364/4885FNTB 3078/4885GRIK1 13/4885

“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.