SCHEMBL562872

SCHEMBL562872

Cc1cc(O)cc(C)c1-c1cccc(C=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
ERN1 O75460 6/20 0.39
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KCNJ1 P48048 1/20 0.37
TRIM24 O15164 2/20 0.37
TRIM33 Q9UPN9 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSP90AA1 P07900 1/20 0.37
ATM Q13315 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL13139894 0.87 ERN1 (0.48) ERN1TLR2TLR1TLR6CA1
SCHEMBL2906818 0.82 ESR2 (0.46) ALDH1A1TSHRERN1TLR2TLR1
SCHEMBL13117431 0.81 ERN1 (0.51) ERN1TLR2TLR1TLR6CA1
SCHEMBL10203746 0.81 ALDH1A1 (0.41) ALDH1A1TSHRERN1TLR2TLR1
SCHEMBL13139873 0.78 ATM (0.48) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL19897782 0.78 ALDH1A1 (0.52) ALDH1A1TSHRERN1TLR2TLR1
SCHEMBL30395616 0.78 ALDH1A1 (0.52) ALDH1A1TSHRERN1TLR2TLR1
SCHEMBL562599 0.77 PTGDR2 (0.48) ALDH1A1LMNATHRB
SCHEMBL13139867 0.75 ALDH1A1 (0.42) ALDH1A1TSHRERN1TLR2TLR1
SCHEMBL25424114 0.75 ERN1 (0.53) ALDH1A1TSHRERN1TLR2TLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423176-A1 CARBOXYLIC ACID COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-21 US disclosed
US-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-21 US disclosed
EP-2216330-A1 OXADIAZOLIDINEDIONE COMPOUND Astellas Pharma Inc. (JP) 2010-08-11 EP 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-20120035196-A1 CARBOXYLIC ACID COMPOUND GPR119, GPR65, GPR55 ALDH1A1 1534/4885TSHR 1637/4885ERN1 3614/4885
US-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND GPR119, GLP1R, GPR4 ALDH1A1 2370/4885TSHR 877/4885ERN1 2484/4885

“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.