SCHEMBL1675995

SCHEMBL1675995

c1ccc(Oc2cccc3c2=c2ccccc2=3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
LTA4H P09960 1/20 0.46
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
HTR1A P08908 3/20 0.43
SLC6A3 Q01959 3/20 0.43
DPP4 P27487 1/20 0.43
HRH1 P35367 1/20 0.41
CTNNB1 P35222 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
RIPK1 Q13546 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM1A O60341 2/20 0.39
MAOB P27338 1/20 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
SCHEMBL51822 0.75 LTA4H (0.69) TSHRLTA4HLMNAGAAKMT2A
SCHEMBL3789538 0.75 DPP4 (0.57) TSHRLTA4HLMNAGAAKMT2A
SCHEMBL3893178 0.73 LTA4H (0.65) TSHRLTA4HLMNAGAAKMT2A
SCHEMBL5852017 0.73 LTA4H (0.65) TSHRLTA4HLMNAGAAKMT2A
SCHEMBL9264065 0.73 LTA4H (0.65) TSHRLTA4HLMNAGAAKMT2A
Bromide SCHEMBL8447011 0.73 LTA4H (0.65) TSHRLTA4HLMNAGAAKMT2A
Ammonia Solution, Strong SCHEMBL7127955 0.73 LTA4H (0.65) TSHRLTA4HLMNAGAAKMT2A
SCHEMBL3893171 0.73 ALDH1A1 (0.67) TSHRLTA4HLMNAGAAKMT2A
SCHEMBL9275086 0.73 LTA4H (0.65) TSHRLTA4HLMNAGAAKMT2A
SCHEMBL7950717 0.73 CA1 (0.55) TSHRLMNAALDH1A1HTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007523903-A 2007-08-23 JP claimed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP claimed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO claimed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US claimed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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 (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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE TSHR 3409/4885LTA4H 1580/4885LMNA 4379/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE TSHR 3409/4885LTA4H 1580/4885LMNA 4379/4885

“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.