SCHEMBL2712841

SCHEMBL2712841

CCCCCCCCCCCCCCOc1c(CBr)cccc1CBr

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
NR5A1 Q13285 1/20 0.42
LTA4H P09960 1/20 0.41
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
MCHR1 Q99705 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SMPD1 P17405 3/20 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
SCHEMBL31261699 0.89 KDM4E (0.43) TSHRNR5A1LTA4HTHRATHRB
SCHEMBL6941932 0.84 NR5A1 (0.41) TSHRNR5A1LTA4HTHRATHRB
SCHEMBL668482 0.80 LTA4H (0.39) TSHRNR5A1LTA4HTHRATHRB
SCHEMBL31261638 0.80 MAPT (0.51) TSHRLTA4HMCHR1LMNAALDH1A1
SCHEMBL31261593 0.80 MAPT (0.51) TSHRLTA4HMCHR1LMNAALDH1A1
SCHEMBL31261680 0.80 MAPT (0.51) TSHRLTA4HMCHR1LMNAALDH1A1
SCHEMBL31261714 0.80 MAPT (0.51) TSHRLTA4HMCHR1LMNAALDH1A1
SCHEMBL9306652 0.80 MAPT (0.51) TSHRLTA4HMCHR1LMNAALDH1A1
SCHEMBL31261640 0.80 MAPT (0.51) TSHRLTA4HMCHR1LMNAALDH1A1
SCHEMBL31261687 0.80 MAPT (0.51) TSHRLTA4HMCHR1LMNAALDH1A1

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 3 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

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 TSHR 4736/4885NR5A1 4834/4885LTA4H 921/4885

“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.