SCHEMBL7215636

SCHEMBL7215636

C=CC(=O)OC(CCC)OC(=O)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.45
KMT2A Q03164 1/20 0.40
PLA2G4B P0C869 4/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RARB P10826 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL12806617 0.90 THRB (0.45) THRBKMT2ATSHRL3MBTL1TAS1R3
SCHEMBL6360136 0.89 THRB (0.44) THRBKMT2ATSHRTAS1R3TAS1R1
SCHEMBL8961851 0.88 THRB (0.44) THRBKMT2ATP53ALDH1A1L3MBTL1
SCHEMBL10042216 0.88 THRB (0.43) THRBKMT2ATSHRALDH1A1L3MBTL1
SCHEMBL2398606 0.86 KMT2A (0.50) THRBKMT2APLA2G4BMAPK1TP53
SCHEMBL9915736 0.81 THRB (0.39) THRBKMT2AMAPK1ALDH1A1L3MBTL1
SCHEMBL12950565 0.80 L3MBTL1 (0.41) THRBKMT2AL3MBTL1TAS1R3TAS1R1
SCHEMBL12618473 0.79 THRB (0.36) THRBKMT2AALDH1A1MAPT
SCHEMBL12618295 0.79 THRB (0.36) THRBKMT2AALDH1A1RARBMAPT
SCHEMBL9908931 0.79 BCHE (0.42) THRBKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6616990-B2 Dopes for liquid crystals BASF AKTIENGESELLSCHAFT (DE) 2003-09-09 US disclosed
US-20010030312-A1 Dopes for liquid crystals BASF AKTIENGESELLSCHAFT (DE) 2001-10-18 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 (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-20010030312-A1 Dopes for liquid crystals DRD1, PDE6A, DRD3 THRB 3587/4885KMT2A 4310/4885PLA2G4B 2307/4885

“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.