SCHEMBL780584

SCHEMBL780584

CCCCCCCCCCCCCCCCC(=O)N(CCC)CCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
HPGD P15428 1/20 0.57
CES2 O00748 3/20 0.52
CES1 P23141 3/20 0.52
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 4/20 0.50
PTPN1 P18031 3/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50
ESR1 P03372 1/20 0.50
ALOX15 P16050 1/20 0.50
PDE4A P27815 1/20 0.50

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
SCHEMBL782582 1.00 ALDH1A1 (0.57) ALDH1A1HPGDCES2CES1GPR84
SCHEMBL9632548 1.00 ALDH1A1 (0.57) ALDH1A1HPGDCES2CES1GPR84
SCHEMBL9633571 1.00 ALDH1A1 (0.57) ALDH1A1HPGDCES2CES1GPR84
SCHEMBL781571 1.00 ALDH1A1 (0.57) ALDH1A1HPGDCES2CES1GPR84
SCHEMBL782029 1.00 ALDH1A1 (0.57) ALDH1A1HPGDCES2CES1GPR84
SCHEMBL2059032 1.00 ALDH1A1 (0.57) ALDH1A1HPGDCES2CES1GPR84
SCHEMBL9631671 1.00 ALDH1A1 (0.57) ALDH1A1HPGDCES2CES1GPR84
SCHEMBL9631084 1.00 ALDH1A1 (0.57) ALDH1A1HPGDCES2CES1GPR84
SCHEMBL9631729 1.00 ALDH1A1 (0.57) ALDH1A1HPGDCES2CES1GPR84
SCHEMBL780547 1.00 ALDH1A1 (0.57) ALDH1A1HPGDCES2CES1GPR84

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653121-B2 Agrochemical composition and method for preparing and using the same ROTAM AGROCHEM INTERNATIONAL CO., LTD. (CN) 2014-02-18 US claimed
US-20120071530-A1 AGROCHEMICAL COMPOSITION AND METHOD FOR PREPARING AND USING THE SAME ROTAM AGROCHEM INTERNATIONAL CO., LTD. (CN) 2012-03-22 US claimed
EP-2164322-A1 AGROCHEMICAL COMPOSITION AND METHOD FOR PREPARING AND USING THE SAME Rotam Agrochem International Co., Ltd (CN) 2010-03-24 EP claimed
CN-101322494-A Pesticide composition and preparation and use method thereof JIANGSU BOTAM BOXMORE PACKAGIN (CN) 2008-12-17 CN claimed
WO-2008145063-A1 AGROCHEMICAL COMPOSITION AND METHOD FOR PREPARING AND USING THE SAME JIANGSU ROTAM CHEMISTRY CO., LTD. (CN) 2008-12-04 WO claimed
CN-103229768-B Pesticide composition as well as preparation method and use method thereof JIANGSU ROTAM CHEMISTRY CO LTD 2015-03-04 CN disclosed
US-8653121-B2 Agrochemical composition and method for preparing and using the same ROTAM AGROCHEM INTERNATIONAL CO., LTD. (CN) 2014-02-18 US disclosed
CN-101322494-B Pesticide composition and preparation and use method thereof JIANGSU ROTAM CHEMISTRY CO LTD 2013-08-21 CN disclosed
CN-103229768-A Pesticide composition as well as preparation method and use method thereof JIANGSU ROTAM CHEMISTRY CO LTD 2013-08-07 CN disclosed
US-20120071530-A1 AGROCHEMICAL COMPOSITION AND METHOD FOR PREPARING AND USING THE SAME ROTAM AGROCHEM INTERNATIONAL CO., LTD. (CN) 2012-03-22 US disclosed
EP-2164322-A1 AGROCHEMICAL COMPOSITION AND METHOD FOR PREPARING AND USING THE SAME Rotam Agrochem International Co., Ltd (CN) 2010-03-24 EP disclosed
CN-101322494-A Pesticide composition and preparation and use method thereof JIANGSU BOTAM BOXMORE PACKAGIN (CN) 2008-12-17 CN disclosed
US-5118845-A N-butyl, N-dodecylacetamide WHITBY RESEARCH, INC. (US) 1992-06-02 US disclosed
EP-0268220-B1 PENETRATION ENHANCERS FOR TRANSDERMAL DELIVERY OF SYSTEMIC AGENTS WHITBY RESEARCH, Inc. (US) 1992-05-20 EP disclosed
US-4902676-A PENETRATION ENHANCING AND PHYSIOLOGICALLY ACTIVE AGENTS; THROUGH THE SKIN OR MUCOSAL MEMBRANE NELSON RESEARCH & DEVELOPMENT CO. (US) 1990-02-20 US disclosed
EP-0329669-A4 COMPOSITIONS COMPRISING N,N-DIALKYLALKANAMIDES AND THEIR USES. NELSON RES & DEV COMPANY (US) 1989-12-12 EP disclosed
EP-0329669-A1 COMPOSITIONS COMPRISING N,N-DIALKYLALKANAMIDES AND THEIR USES Whitby Research Incorporated (US) 1989-08-30 EP disclosed
US-4808414-A DRUG DELIVERY BY SKIN ABSORPTION NELSON RESEARCH & DEVELOPMENT CO. (US) 1989-02-28 US disclosed
EP-0268220-A2 Penetration enhancers for transdermal delivery of systemic agents WHITBY RESEARCH, Inc. (US) 1988-05-25 EP disclosed
WO-1988002216-A1 COMPOSITIONS COMPRISING N,N-DIALKYLALKANAMIDES AND THEIR USES NELSON RESEARCH AND DEVELOPMENT COMPANY (US) 1988-04-07 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-20120071530-A1 AGROCHEMICAL COMPOSITION AND METHOD FOR PREPARING AND USING THE SAME CYP2F1, CYP51A1, CYP4F3 ALDH1A1 3097/4885HPGD 4472/4885CES2 239/4885

“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.