SCHEMBL543786

SCHEMBL543786

O=C(O)C=CC(=O)NCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TAAR1 Q96RJ0 6/20 0.52
LMNA P02545 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ECE1 P42892 1/20 0.43
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
EGLN3 Q9H6Z9 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
SCHEMBL543785 1.00 ALDH1A1 (0.52) ALDH1A1TAAR1LMNACYP2D6CYP2C19
SCHEMBL21836734 1.00 ALDH1A1 (0.52) ALDH1A1TAAR1LMNACYP2D6CYP2C19
SCHEMBL29548275 0.88 ALDH1A1 (0.46) ALDH1A1TAAR1LMNACYP2D6CYP2C19
SCHEMBL3900092 0.87 ALDH1A1 (0.56) ALDH1A1TAAR1LMNACYP2D6CYP2C19
SCHEMBL3900089 0.87 ALDH1A1 (0.56) ALDH1A1TAAR1LMNACYP2D6CYP2C19
SCHEMBL10578482 0.85 ALDH1A1 (0.59) ALDH1A1TAAR1LMNACYP2D6CYP2C19
SCHEMBL10578491 0.85 ALDH1A1 (0.59) ALDH1A1TAAR1LMNACYP2D6CYP2C19
SCHEMBL10934483 0.85 PRMT1 (0.55) ALDH1A1TAAR1LMNA
SCHEMBL10934479 0.85 PRMT1 (0.55) ALDH1A1TAAR1LMNA
SCHEMBL24686717 0.84 PRMT1 (0.59) ALDH1A1TAAR1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0080451-B1 METHOD AND COMPOSITION FOR DIENE RUBBER TREATMENT MONSANTO COMPANY (US) 1985-09-18 EP claimed
EP-0080451-A1 Method and composition for diene rubber treatment MONSANTO COMPANY (US) 1983-06-01 EP claimed
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
EP-0080451-B1 METHOD AND COMPOSITION FOR DIENE RUBBER TREATMENT MONSANTO COMPANY (US) 1985-09-18 EP disclosed
US-4433114-A SULFUR OR ORGANOSULFUR COMPOUNDS, MALEAMIC ACID OR DERIVATIVES, TACKINESS, GREEN STRENGTH MONSANTO COMPANY (US) 1984-02-21 US disclosed
EP-0080451-A1 Method and composition for diene rubber treatment MONSANTO COMPANY (US) 1983-06-01 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

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 3192/4885TAAR1 1422/4885LMNA 377/4885

“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.