SCHEMBL2011125

SCHEMBL2011125

NC(=O)CCCCCCCCCCCO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.60
FFAR1 O14842 1/20 0.60
FFAR4 Q5NUL3 1/20 0.60
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SOAT1 P35610 2/20 0.44
FAAH O00519 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
CAMK2A Q9UQM7 1/20 0.43
LMNA P02545 5/20 0.40
TSHR P16473 2/20 0.40
NFKB1 P19838 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
SCHEMBL28624684 1.00 GPR84 (0.60) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL95430 1.00 GPR84 (0.60) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
1,6-Hexanediol SCHEMBL28628065 1.00 GPR84 (0.60) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL5575807 1.00 GPR84 (0.60) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL7554526 1.00 GPR84 (0.60) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL2839590 1.00 GPR84 (0.60) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL8411317 1.00 GPR84 (0.60) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL1479946 1.00 GPR84 (0.60) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL5575804 1.00 GPR84 (0.60) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL6924277 1.00 GPR84 (0.60) GPR84FFAR1FFAR4KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108640861-A \" one kettle way \" that alkynyl amide mediates prepares macrolide 江西师范大学 2018-10-12 CN disclosed
US-20140050676-A1 Method for Treating Skin with Retinoids and Retinoid Boosters CONOPCO, INC., D/B/A UNILEVER (US) 2014-02-20 US disclosed
US-8409550-B2 Method for treating skin with retinoids and retinoid boosters UNILEVER HOME & PERSONAL CARE, USA, DIVISION OF CONOPCO, INC. (US) 2013-04-02 US disclosed
US-20120258061-A1 Method for Treating Skin with Retinoids and Retinoid Boosters CONOPCO, INC., D/B/A UNILEVER (US) 2012-10-11 US disclosed
US-8226933-B2 Method for treating skin with booster compositions UNILEVER HOME & PERSONAL CARE, USA DIVISION OF CONOPCO, INC. (US) 2012-07-24 US disclosed
US-20110206626-A1 Method for Treating Skin with Booster Compositions CONOPCO, INC., D/B/A UNILEVER (US) 2011-08-25 US disclosed
US-7959913-B2 Applying a mixture of a retinoid, antimicotic compound that enhances conversion of retinoid to retinoic acid and prevents the retinoic acid degradation (bifonazole, climbazole), fatty alcohol and/or fatty acid, and cosmetic vehicle to treat the skin for wrinkles, psoriasis, age spots or discoloration. CONOPCO, INC. (US) 2011-06-14 US disclosed
US-20080234342-A1 Skin Conditioning Compositions Containing Compounds for Mimicking the Effect on Skin of Retinoic Acid CONOPCO, INC., D/B/A UNILEVER (US) 2008-09-25 US disclosed
CN-1874792-A Compounds containing matrix metalloproteinase substrates and methods of their use BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-12-06 CN disclosed
EP-1219631-A1 ANTIANDROGEN AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-03 EP 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 (3 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-20080234342-A1 Skin Conditioning Compositions Containing Compounds for Mimicking the Effect on Skin of Retinoic Acid RARA, RARG, RARB GPR84 50/4885FFAR1 341/4885FFAR4 516/4885
US-20120258061-A1 Method for Treating Skin with Retinoids and Retinoid Boosters RARA, RARG, RARB GPR84 429/4885FFAR1 1724/4885FFAR4 1362/4885
US-20110206626-A1 Method for Treating Skin with Booster Compositions RARB, RARA, RARG GPR84 808/4885FFAR1 2385/4885FFAR4 2208/4885

“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.