SCHEMBL2876232

SCHEMBL2876232

C#CCCCCCCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
MAOA P21397 1/20 0.50
NAAA Q02083 3/20 0.48
MIF P14174 1/20 0.48
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAOB P27338 2/20 0.48

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
SCHEMBL24925830 1.00 SIGMAR1 (0.52) SIGMAR1ALDH1A1CYP3A4ALOX15MAOA
SCHEMBL2405377 1.00 SIGMAR1 (0.52) SIGMAR1ALDH1A1CYP3A4ALOX15MAOA
SCHEMBL7681064 1.00 SIGMAR1 (0.52) SIGMAR1ALDH1A1CYP3A4ALOX15MAOA
SCHEMBL7687609 0.98 MAOA (0.52) SIGMAR1ALDH1A1CYP3A4ALOX15MAOA
SCHEMBL386561 0.91 SIGMAR1 (0.48) SIGMAR1ALDH1A1ALOX15MAOAMIF
Bromide SCHEMBL28242863 0.89 SIGMAR1 (0.46) SIGMAR1MAOAMIFMAOB
SCHEMBL17934738 0.84 ALDH1A1 (0.42) SIGMAR1ALDH1A1CYP3A4ALOX15NAAA
SCHEMBL17934733 0.84 ALDH1A1 (0.42) SIGMAR1ALDH1A1CYP3A4ALOX15NAAA
SCHEMBL17934741 0.84 ALDH1A1 (0.42) SIGMAR1ALDH1A1CYP3A4ALOX15NAAA
SCHEMBL103124 0.81 ALDH1A1 (0.48) ALDH1A1CYP3A4ALOX15MAOAMIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883746-B2 α-galactosylceramide derivatives, pharmaceutically acceptable salts thereof, preparation method and pharmaceutical composition for the immune adjuvant containing the same as an active ingredient SNU R&DB FOUNDATION (KR) 2014-11-11 US disclosed
US-20100104590-A1 ALPHA-GALACTOSYLCERAMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION FOR THE IMMUNE ADJUVANT CONTAINING THE SAME AS AN ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2010-04-29 US disclosed
EP-2102225-A1 ALPHA-GALACTOSYLCERAMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION FOR THE IMMUNE ADJUVANT CONTAINING THE SAME AS AN ACTIVE INGREDIENT SNU R&DB Foundation (KR) 2009-09-23 EP disclosed
WO-2008082156-A1 ALPHA-GALACTOSYLCERAMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION FOR THE IMMUNE ADJUVANT CONTAINING THE SAME AS AN ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2008-07-10 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-20100104590-A1 ALPHA-GALACTOSYLCERAMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION FOR THE IMMUNE ADJUVANT CONTAINING THE SAME AS AN ACTIVE INGREDIENT GALC, GBA1, IL4 SIGMAR1 2242/4885ALDH1A1 1750/4885CYP3A4 1382/4885

“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.