SCHEMBL819337

SCHEMBL819337

COC(=O)C1CCC(C(=O)OC)C(c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.56
SLC6A4 P31645 8/20 0.56
SLC6A2 P23975 7/20 0.56
ATM Q13315 1/20 0.54
HDAC4 P56524 1/20 0.49

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
SCHEMBL17712999 0.87 SLC6A3 (0.66) SLC6A3SLC6A4SLC6A2ATM
SCHEMBL1223719 0.85 HDAC4 (0.61) SLC6A3SLC6A4SLC6A2ATMHDAC4
SCHEMBL29451691 0.85 HDAC4 (0.61) SLC6A3SLC6A4SLC6A2ATMHDAC4
SCHEMBL1223722 0.85 HDAC4 (0.61) SLC6A3SLC6A4SLC6A2ATMHDAC4
SCHEMBL2504396 0.85 HDAC4 (0.61) SLC6A3SLC6A4SLC6A2ATMHDAC4
SCHEMBL9753434 0.84 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2ATM
SCHEMBL24434987 0.82 AKR1C3 (0.69) SLC6A3SLC6A4SLC6A2ATM
SCHEMBL3543298 0.82 AKR1C3 (0.69) SLC6A3SLC6A4SLC6A2ATM
Hydrochloric Acid SCHEMBL9753140 0.82 SLC6A3 (0.53) SLC6A3SLC6A4SLC6A2ATM
SCHEMBL14405112 0.81 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2ATM

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-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
WO-2012082727-A1 BIOBASED POLYAMIDES Amyris, Inc. (US) 2012-06-21 WO disclosed
WO-2012082725-A1 CONTINUOUS DEHYDROGENATION OF 1,4-CARBOXYLATE SUBSTITUTED CYCLOHEXENES Amyris, Inc. (US) 2012-06-21 WO disclosed
EP-2443083-A2 CYCLOHEXENE 1,4-CARBOXYLATES Amyris, Inc. (US) 2012-04-25 EP disclosed
US-20110288310-A1 CYCLOHEXANE 1,4 CARBOXYLATES DRATHS CORPORATION (US) 2011-11-24 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
US-20110282078-A1 CYCLOHEXENE 1,4 -CARBOXYLATES DRATHS CORPORATION (US) 2011-11-17 US disclosed
WO-2010148081-A2 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF DRATHS CORPORATION (US) 2010-12-23 WO disclosed
WO-2010148063-A2 CYCLOHEXENE 1,4-CARBOXYLATES DRATHS CORPORATION (US) 2010-12-23 WO disclosed
WO-2010148049-A2 PREPARATION OF TRANS, TRANS MUCONIC ACID AND TRANS, TRANS MUCONATES DRATHS CORPORATION (US) 2010-12-23 WO disclosed
WO-2010148080-A2 CYCLOHEXANE 1,4 CARBOXYLATES DRATHS CORPORATION (US) 2010-12-23 WO disclosed
WO-2010148070-A2 BIOBASED POLYESTERS 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 (4 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-20110288310-A1 CYCLOHEXANE 1,4 CARBOXYLATES CNR2, CBR1, CCR4 SLC6A3 4680/4885SLC6A4 3260/4885SLC6A2 4350/4885
US-20110282078-A1 CYCLOHEXENE 1,4 -CARBOXYLATES CBR1, MCM4, CCR4 SLC6A3 4619/4885SLC6A4 3613/4885SLC6A2 4568/4885
US-20110288311-A1 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF TRIM4, DDT, PICALM SLC6A3 2177/4885SLC6A4 2796/4885SLC6A2 3198/4885
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES MUC1, FUT6, ST6GAL1 SLC6A3 465/4885SLC6A4 779/4885SLC6A2 1700/4885

“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.