SCHEMBL544692

SCHEMBL544692

O=C(O)C=CCNC(=O)C=CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LMNA P02545 3/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TAAR1 Q96RJ0 3/20 0.44
TSHR P16473 3/20 0.43
TP53 P04637 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
GABRR1 P24046 2/20 0.42
GABRR2 P28476 2/20 0.42
BLM P54132 2/20 0.42
GABRR3 A8MPY1 1/20 0.42
APEX1 P27695 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.41
LPAR2 Q9HBW0 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41
KMT2A Q03164 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
SCHEMBL1488258 0.82 TSHR (0.50) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL8815051 0.80 TSHR (0.46) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL239953 0.79 ALDH1A1 (0.46) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL239954 0.79 ALDH1A1 (0.46) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL4318714 0.79 ALDH1A1 (0.46) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL10578482 0.77 ALDH1A1 (0.59) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL15087214 0.77 ALDH1A1 (0.52) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL10578491 0.77 ALDH1A1 (0.59) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL13381419 0.77 ALDH1A1 (0.52) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL17438007 0.76 TSHR (0.42) ALDH1A1LMNATSHRTP53EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8960247-B2 Pneumatic tire BRIDGESTONE CORPORATION (JP) 2015-02-24 US disclosed
EP-2116396-B1 PNEUMATIC TIRE BRIDGESTONE CORP (JP) 2014-04-23 EP disclosed
US-8110625-B2 Rubber composition BRIDGESTONE CORPORATION (JP) 2012-02-07 US disclosed
EP-2223958-B1 Rubber composition BRIDGESTONE CORP (JP) 2011-12-28 EP disclosed
US-20100298488-A1 RUBBER COMPOSITION BRIDGESTONE CORPORATION (JP) 2010-11-25 US disclosed
US-7799856-B2 Rubber composition BRIDGESTONE CORPORATION (JP) 2010-09-21 US disclosed
EP-2226354-A1 Rubber composition Bridgestone Corporation (JP) 2010-09-08 EP disclosed
EP-2223958-A1 Rubber composition Bridgestone Corporation (JP) 2010-09-01 EP disclosed
US-20100024937-A1 PNEUMATIC TIRE BRIDGESTONE CORPORATION (JP) 2010-02-04 US disclosed
EP-2116396-A1 PNEUMATIC TIRE Bridgestone Corporation (JP) 2009-11-11 EP disclosed
US-20040249032-A1 Rubber composition BRIDGESTONE CORPORATION (JP) 2004-12-09 US disclosed
EP-1435375-A1 RUBBER COMPOSITION Bridgestone Corporation (JP) 2004-07-07 EP disclosed
US-4374956-A METAL ADHESIVES MONSANTO COMPANY (US) 1983-02-22 US disclosed
US-4350740-A SUBSTITUTED MALEAMIC ACID MODIFIER; ADHESION TO METALS MONSANTO COMPANY (US) 1982-09-21 US disclosed
US-4320173-A REINFORCEMENT AND ADHESIVES FOR VULCANIZED PRODUCTS MONSANTO COMPANY (US) 1982-03-16 US disclosed
US-4320173-A REINFORCEMENT AND ADHESIVES FOR VULCANIZED PRODUCTS MONSANTO COMPANY (US) 1982-03-16 US disclosed
US-4320173-A REINFORCEMENT AND ADHESIVES FOR VULCANIZED PRODUCTS MONSANTO COMPANY (US) 1982-03-16 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-20100298488-A1 RUBBER COMPOSITION RAD50, RAD54L, VCL ALDH1A1 3192/4885LMNA 377/4885CYP2D6 4333/4885

“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.