SCHEMBL1415787

SCHEMBL1415787

CC(C)(O)/C(=C\C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.32
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL2855707 0.84 TSHR (0.36) TSHRALDH1A1KDM4EHMGCRCHRM1
SCHEMBL2855633 0.84 TSHR (0.36) TSHRALDH1A1KDM4EHMGCRCHRM1
SCHEMBL1965963 0.81 TSHR (0.33) TSHRALDH1A1KDM4E
SCHEMBL1965967 0.81 TSHR (0.33) TSHRALDH1A1KDM4E
SCHEMBL3630555 0.81 TSHR (0.33) TSHRALDH1A1KDM4E
Hydrogen Peroxide SCHEMBL28392769 0.81 TSHR (0.33) TSHRALDH1A1KDM4E
SCHEMBL15546329 0.77 NR4A1 (0.34) TSHRKDM4E
SCHEMBL15546331 0.77 NR4A1 (0.34) TSHRKDM4E
SCHEMBL4629251 0.76 ALDH1A1 (0.45) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL4629249 0.76 ALDH1A1 (0.45) TSHRALDH1A1HMGCRCHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144146-A1 Aminomethyl Substituted Bicyclic Aromatic Compounds Suitable for Treating Disorders That Respond to Modulation of the Dopamine D3 Receptor ABBOTT GMBH & CO. KG 2011-06-16 US disclosed
EP-1809598-B1 AMINOMETHYL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-03-16 EP disclosed
US-6489322-B1 BENZOXAZEPINES AS SELECTIVE INHIBITORS OF THE NEURONAL ISOFORM OF NITRIC OXIDE SYNTHASE FOR TREATMENT OF NEURODEGENERATIVE DISEASE ASTRAZENECA AB (SE) 2002-12-03 US disclosed
EP-0983268-B1 AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-07-24 EP disclosed
EP-0983268-A1 AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE Astra Aktiebolag (SE) 2000-03-08 EP disclosed
WO-1998050382-A1 AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRA AKTIEBOLAG (SE) 1998-11-12 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 (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-20110144146-A1 Aminomethyl Substituted Bicyclic Aromatic Compounds Suitable for Treating Disorders That Respond to Modulation of the Dopamine D3 Receptor CHRNA3, HCRTR2, CRHR2 TSHR 72/4885ALDH1A1 2353/4885KDM4E 3370/4885

“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.