SCHEMBL8399481

SCHEMBL8399481

O=[N+]([O-])c1cccc(O)c1CO

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.58
TDP1 Q9NUW8 3/20 0.47
ERN1 O75460 1/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 3/20 0.44
CTSB P07858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CXCR2 P25025 1/20 0.42
CSNK2A2 P19784 2/20 0.41
CSNK2B P67870 2/20 0.41
CSNK2A1 P68400 2/20 0.41
CSNK2A3 Q8NEV1 2/20 0.41
KCNMA1 Q12791 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL514833 0.88 GPR35 (0.58) GPR35TDP1ERN1ALDH1A1TSHR
SCHEMBL11207636 0.86 GPR35 (0.60) GPR35TDP1ERN1ALDH1A1TSHR
SCHEMBL7027335 0.85 GPR35 (0.55) GPR35TDP1ERN1ALDH1A1TSHR
SCHEMBL9196646 0.83 GPR35 (0.56) GPR35TDP1ERN1ALDH1A1TSHR
SCHEMBL4229187 0.83 GPR35 (0.56) GPR35TDP1ERN1ALDH1A1TSHR
SCHEMBL13322828 0.83 GPR35 (0.56) GPR35TDP1ERN1TSHRCTSB
SCHEMBL28120505 0.82 GPR35 (0.51) GPR35TDP1ERN1ALDH1A1TSHR
SCHEMBL5622028 0.81 ALDH1A1 (0.53) GPR35TDP1ERN1ALDH1A1TSHR
SCHEMBL13881142 0.80 GPR35 (0.53) GPR35TDP1ERN1TSHRCTSB
SCHEMBL25249470 0.79 GPR35 (0.48) GPR35TDP1ERN1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220180083-A1 MODIFYING MESSAGES STORED IN MIXTURES OF MOLECULES USING THIN-LAYER CHROMATOGRAPHY NORTHWESTERN UNIVERSITY 2022-06-09 US disclosed
US-8748570-B2 Insulin analogues SYNGENE LIMITED (AU) 2014-06-10 US disclosed
US-8748570-B2 Insulin analogues SYNGENE LIMITED (AU) 2014-06-10 US disclosed
US-8748570-B2 Insulin analogues SYNGENE LIMITED (AU) 2014-06-10 US disclosed
US-20130345397-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN PEPTIDES SYNGENE LIMITED (AU) 2013-12-26 US disclosed
EP-2576593-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN PEPTIDES Syngene Limited (AU) 2013-04-10 EP disclosed
EP-2576612-A1 INSULIN ANALOGUES Syngene Limited (AU) 2013-04-10 EP disclosed
US-20120225811-A1 INSULIN ANALOGUES POLYCHIP PHARMACEUTICALS PTY LTD (AU) 2012-09-06 US disclosed
US-20120225811-A1 INSULIN ANALOGUES POLYCHIP PHARMACEUTICALS PTY LTD (AU) 2012-09-06 US disclosed
US-20120225811-A1 INSULIN ANALOGUES POLYCHIP PHARMACEUTICALS PTY LTD (AU) 2012-09-06 US disclosed
WO-2011146973-A1 INSULIN ANALOGUES MONASH UNIVERSITY (AU) 2011-12-01 WO disclosed
WO-2011146972-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN PEPTIDES MONASH UNIVERSITY (AU) 2011-12-01 WO disclosed
WO-2011146972-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN PEPTIDES MONASH UNIVERSITY (AU) 2011-12-01 WO disclosed
WO-2011146973-A1 INSULIN ANALOGUES MONASH UNIVERSITY (AU) 2011-12-01 WO disclosed
EP-0918757-A1 8-HYDROCARBYL SUBSTITUTED BENZODIZOCINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN KINASE C (=PKC) MODULATORS GEORGETOWN UNIVERSITY (US) 1999-06-02 EP disclosed
WO-1997043268-A1 8-HYDROCARBYL SUBSTITUTED BENZODIZOCINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN KINASE C (=PKC) MODULATORS GEORGETOWN UNIVERSITY (US) 1997-11-20 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-20120225811-A1 INSULIN ANALOGUES IAPP, INSR, GPR119 GPR35 653/4885TDP1 4518/4885ERN1 3335/4885
US-20130345397-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN PEPTIDES DNPEP, NPPA, VIP GPR35 4315/4885TDP1 3556/4885ERN1 2778/4885

“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.