SCHEMBL14733348

SCHEMBL14733348

CCCCCCCC(=O)N(C)COCOC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
KDM5A P29375 3/20 0.42
ALDH1A1 P00352 3/20 0.41
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
DNM1 Q05193 1/20 0.39
POLB P06746 1/20 0.39
POLA1 P09884 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
PHF8 Q9UPP1 1/20 0.39
PPARG P37231 4/20 0.38
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
TSHR P16473 3/20 0.38
GPR84 Q9NQS5 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
TLR2 O60603 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
SCHEMBL14733349 1.00 EPHX2 (0.43) EPHX2KDM5AALDH1A1CES2CES1
SCHEMBL14733347 1.00 EPHX2 (0.43) EPHX2KDM5AALDH1A1CES2CES1
SCHEMBL11596281 0.76 ALDH1A1 (0.39) EPHX2KDM5AALDH1A1
SCHEMBL28177818 0.74 ALDH1A1 (0.54) EPHX2ALDH1A1CES2CES1PPARG
SCHEMBL7939776 0.74 EPHX2 (0.62) EPHX2KDM5AALDH1A1CES2CES1
SCHEMBL17914173 0.74 ALDH1A1 (0.54) EPHX2ALDH1A1CES2CES1PPARG
SCHEMBL2058434 0.74 ALDH1A1 (0.54) EPHX2ALDH1A1CES2CES1PPARG
SCHEMBL2058893 0.74 ALDH1A1 (0.54) EPHX2ALDH1A1CES2CES1PPARG
SCHEMBL2058928 0.74 ALDH1A1 (0.54) EPHX2ALDH1A1CES2CES1PPARG
SCHEMBL2058987 0.74 ALDH1A1 (0.54) EPHX2ALDH1A1CES2CES1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11801231-B2 Oral compositions and methods of use 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-10-31 US disclosed
US-11779446-B2 Oral compositions and methods of use 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-10-10 US disclosed
US-11642199-B2 Dental appliance with cosmetic therapeutic aqueous solution 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-05-09 US disclosed
US-8647608-B2 Therapeutic dental composition and related methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-02-11 US disclosed
US-8552086-B2 Dental compositions including organogelators, products, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-10-08 US disclosed
US-20130109780-A1 DENTAL COMPOSITIONS INLCUDING ORGANOGELATORS, PRODUCTS, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-05-02 US disclosed
US-20130052146-A1 THERAPEUTIC DENTAL COMPOSITION AND RELATED METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-28 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 (5 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-20130052146-A1 THERAPEUTIC DENTAL COMPOSITION AND RELATED METHODS SLC10A1, GDI2, EBP EPHX2 1906/4885KDM5A 2972/4885ALDH1A1 2486/4885
US-20130109780-A1 DENTAL COMPOSITIONS INLCUDING ORGANOGELATORS, PRODUCTS, AND METHODS ILK, EPM2A, PDE6G EPHX2 1602/4885KDM5A 2335/4885ALDH1A1 2232/4885
US-11779446-B2 Oral compositions and methods of use PHOSPHO1, PWWP2B, PLCG2 EPHX2 550/4885KDM5A 2623/4885ALDH1A1 4763/4885
US-11801231-B2 Oral compositions and methods of use HRH2, HRH3, TAS2R42 EPHX2 300/4885KDM5A 3528/4885ALDH1A1 2912/4885
US-11642199-B2 Dental appliance with cosmetic therapeutic aqueous solution RARG, RARA, POLR1C EPHX2 4144/4885KDM5A 3449/4885ALDH1A1 2786/4885

“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.