SCHEMBL10052083

SCHEMBL10052083

COc1ccc(CBr)cc1CBr

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
ALOX15 P16050 2/20 0.44
PKM P14618 1/20 0.44
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTR2A P28223 1/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 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
SCHEMBL18763598 0.84 GABRA1 (0.58)
SCHEMBL30147378 0.83 CA2 (0.47) CA2GAAKDM4EATMALDH1A1
SCHEMBL3782409 0.83 CA2 (0.47) CA2GAAKDM4EATMALDH1A1
SCHEMBL11654118 0.83 ALDH1A1 (0.33) CA2ALOX15PKMALDH1A1HTR2A
SCHEMBL1080853 0.83 CA2 (0.68) CA2KDM4EATMALDH1A1PPARG
SCHEMBL29559892 0.83 CA2 (0.68) CA2KDM4EATMALDH1A1PPARG
SCHEMBL17223734 0.82 CA2 (0.39) CA2ALOX15PKMGAAALOX12
SCHEMBL7489270 0.82 PKM (0.45) CA2ALOX15PKMALDH1A1MEN1
SCHEMBL1799268 0.81 GAA (0.64) ALOX15PKMGAAKDM4EALDH1A1
SCHEMBL5465227 0.79 HSD17B10 (0.46) ALOX15PKMGAAALDH1A1MEN1

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-8980925-B2 Antimicrobial amphiphiles and methods for their use JAMES MADISON INNOVATIONS, INC. (US) 2015-03-17 US disclosed
US-20140148487-A1 ANTIMICROBIAL AMPHIPHILES AND METHODS FOR THEIR USE James Madison Innovations, Inc, (US) 2014-05-29 US disclosed
WO-2012054695-A1 NTIMICROBIAL AMPHIPHILES AND METHODS FOR THEIR USE JAMES MADISON INNOVATIONS, INC. (US) 2012-04-26 WO disclosed
US-3947471-A CHROMOGENIC SUMITOMO CHEMICAL COMPANY, LTD. (JA) 1976-03-30 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 (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-20140148487-A1 ANTIMICROBIAL AMPHIPHILES AND METHODS FOR THEIR USE ANXA5, ANXA4, ANXA6 CA2 3241/4885ALOX15 1255/4885PKM 4430/4885

“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.