SCHEMBL6404697

SCHEMBL6404697

CC1(OC(=O)c2ccccc2C(=O)O)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.51
SCN2A Q99250 2/20 0.51
SCN3A Q9NY46 2/20 0.51
TDP1 Q9NUW8 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 5/20 0.45
ALOX15 P16050 1/20 0.45
CYP19A1 P11511 1/20 0.42
AKR1C3 P42330 2/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.38
HMGB1 P09429 2/20 0.38
HPGD P15428 2/20 0.38
NAPRT Q6XQN6 2/20 0.38
ESR1 P03372 1/20 0.38
ITGB3 P05106 1/20 0.38

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
SCHEMBL304215 0.93 SCN1A (0.52) SCN1ASCN2ASCN3ATDP1CYP2C9
SCHEMBL31192379 0.93 SCN1A (0.52) SCN1ASCN2ASCN3ATDP1CYP2C9
SCHEMBL31077823 0.92 SCN1A (0.54) SCN1ASCN2ASCN3ATDP1CYP2C9
SCHEMBL3411398 0.92 SCN1A (0.54) SCN1ASCN2ASCN3ATDP1CYP2C9
SCHEMBL24705923 0.86 KDM4E (0.46) SCN1ASCN2ASCN3ATDP1CYP2C9
SCHEMBL27781086 0.84 LMNA (0.51) SCN1ASCN2ASCN3ATDP1CYP2C9
SCHEMBL24705921 0.84 KDM4E (0.44) SCN1ASCN2ASCN3ATDP1CYP2C9
SCHEMBL24705926 0.83 HSD17B10 (0.47) SCN1ASCN2ASCN3ATDP1CYP2C9
SCHEMBL4710739 0.83 SELL (0.42) SCN1ASCN2ASCN3ATDP1CYP2C9
SCHEMBL28492099 0.82 ALDH1A1 (0.47) SCN1ASCN2ASCN3ATDP1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105431511-B Bio-based dispersants 埃瑟克斯化学有限责任公司 2019-12-24 CN disclosed
CN-110573601-A Compositions and methods for floor cleaning or rehabilitation 埃科莱布美国股份有限公司 2019-12-13 CN disclosed
CN-106380729-B Novel PVC heat stabilizer 邵卫东 2019-01-29 CN disclosed
CN-106380729-A Novel PVC heat stablizer 邵卫东 2017-02-08 CN disclosed
WO-2015013593-A2 RAPID DRYING LACQUERS CONTAINING IMPROVED RHEOLOGY CONTROL ADDITIVE AXALTA COATING SYSTEMS IP CO., LLC (US) 2015-01-29 WO disclosed
US-20050038283-A1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL, CO., LTD. (JP) 2005-02-17 US disclosed
EP-1227078-A1 DICARBOXYLIC DIESTER, PROCESS FOR PRODUCING THE SAME, AND REFRIGERATING MACHINE LUBRICATING OIL COMPRISING THE ESTER NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-31 EP disclosed
EP-0946647-A1 DISPERSIONS OF BLENDED POLYCARBOXYPOLYAMIDE RESINS AND ALKALI DISPERSIBLE RESINS, THEIR PREPARATION AND THEIR USE S.C. Johnson Commercial Markets, Inc. (US) 1999-10-06 EP disclosed
WO-1998027162-A1 DISPERSIONS OF BLENDED POLYCARBOXYPOLYAMIDE RESINS AND ALKALI DISPERSIBLE RESINS, THEIR PREPARATION AND THEIR USE S.C. JOHNSON COMMERCIAL MARKETS, INC. (US) 1998-06-25 WO 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-20050038283-A1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester SCO2, PDHX, DECR2 SCN1A 3770/4885SCN2A 3734/4885SCN3A 3940/4885

“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.