SCHEMBL823174

SCHEMBL823174

COC(=O)C1C=CC(C(=O)OC)C(C)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.30

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
SCHEMBL23095814 0.89 ALDH1A1 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL821016 0.82 ALDH1A1 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL818518 0.81 CYP1A2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL823161 0.79 CHRNB2 (0.32) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL19985166 0.78 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL12795464 0.78 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL22787511 0.78 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25499830 0.78 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL13040485 0.77 ALDH1A1 (0.32) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL19738165 0.74 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373895-A1 ISOMERIZATION OF CYCLOHEXENEDICARBOXYLIC ACID AND ITS DERIVATIVES UNITED STATES DEPARTMENT OF ENERGY 2023-11-23 US disclosed
US-8426639-B2 Preparation of trans, trans muconic acid and trans, trans muconates Amyris, Inc. (US) 2013-04-23 US disclosed
US-8415496-B2 Biobased polyesters Amyris, Inc. 2013-04-09 US disclosed
US-8367859-B2 Cyclohexane 1,4 carboxylates Amyris, Inc. (US) 2013-02-05 US disclosed
US-8367858-B2 Terephthalic and trimellitic based acids and carboxylate derivatives thereof Amyris, Inc. (US) 2013-02-05 US disclosed
US-20110288311-A1 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF DRATHS CORPORATION (US) 2011-11-24 US disclosed
US-20110288263-A1 BIOBASED POLYESTERS DRATHS CORPORATION (US) 2011-11-24 US disclosed
WO-2010148080-A2 CYCLOHEXANE 1,4 CARBOXYLATES DRATHS CORPORATION (US) 2010-12-23 WO disclosed
WO-2010148081-A2 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF DRATHS CORPORATION (US) 2010-12-23 WO disclosed
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES DRATHS CORPORATION (US) 2010-12-16 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 (3 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-20230373895-A1 ISOMERIZATION OF CYCLOHEXENEDICARBOXYLIC ACID AND ITS DERIVATIVES CYP17A1, CYP21A2, CYP19A1 CHRNB2 4196/4885CHRNA4 3607/4885CHRNB4 4171/4885
US-20110288311-A1 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF TRIM4, DDT, PICALM CHRNB2 3093/4885CHRNA4 2835/4885CHRNB4 3158/4885
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES MUC1, FUT6, ST6GAL1 CHRNB2 3762/4885CHRNA4 3261/4885CHRNB4 3508/4885

“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.