SCHEMBL149946

SCHEMBL149946

COc1ccc(OC(C)=O)c(Br)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
PTPN1 P18031 2/20 0.46
TNFSF11 O14788 1/20 0.46
NR3C1 P04150 1/20 0.45
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPT P10636 2/20 0.43
CFD P00746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGS1 P23219 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43

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
SCHEMBL151821 0.84 TSHR (0.55) TSHRPTPN1TNFSF11NR3C1JUN
SCHEMBL10442008 0.82 MAPK1 (0.50) TSHRPTPN1CFDTDP1PTGS1
SCHEMBL286701 0.82 PTPN1 (0.46) TSHRPTPN1TNFSF11NR3C1JUN
SCHEMBL29135178 0.80 PTPN1 (0.42) PTPN1MAPTTDP1PTGS1ALDH1A1
SCHEMBL6718819 0.80 CA2 (0.47) PTPN1MAPTTDP1TUBB4ATUBB
SCHEMBL3539621 0.78 ALDH1A1 (0.40) TSHRJUNNFKB1MAPTCFD
SCHEMBL11102155 0.78 MAPT (0.54) PTPN1MAPTTDP1ALDH1A1RAB9A
SCHEMBL3327023 0.77 MAPK1 (0.58) TSHRPTPN1TNFSF11MAPTTDP1
SCHEMBL17086902 0.76 CFD (0.48) TSHRMAPTCFDTDP1PTGS1
SCHEMBL14907133 0.76 TDP1 (0.54) TSHRTNFSF11MAPTCFDTDP1

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-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 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 (2 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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L TSHR 2435/4885PTPN1 1810/4885TNFSF11 4415/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L TSHR 2232/4885PTPN1 1545/4885TNFSF11 4105/4885

“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.