SCHEMBL819394

SCHEMBL819394

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.65
AKR1C1 Q04828 1/20 0.65
HDAC4 P56524 1/20 0.53
FFAR1 O14842 1/20 0.53
ALDH1A1 P00352 1/20 0.51
HPGD P15428 2/20 0.50
SLC9A1 P19634 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 7/20 0.47
MAOB P27338 7/20 0.47
KDM1A O60341 6/20 0.47
CYP2C19 P33261 4/20 0.47
CYP2B6 P20813 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47

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
SCHEMBL1073458 0.86 AKR1C3 (0.55) AKR1C3AKR1C1HDAC4FFAR1ALDH1A1
SCHEMBL15590483 0.86 AKR1C3 (0.55) AKR1C3AKR1C1HDAC4FFAR1ALDH1A1
SCHEMBL5217474 0.84 FFAR1 (0.70) AKR1C3AKR1C1HDAC4FFAR1ALDH1A1
SCHEMBL323823 0.84 FFAR1 (0.70) AKR1C3AKR1C1HDAC4FFAR1ALDH1A1
SCHEMBL1172743 0.84 FFAR1 (0.70) AKR1C3AKR1C1HDAC4FFAR1ALDH1A1
SCHEMBL8295172 0.84 FFAR1 (0.70) AKR1C3AKR1C1HDAC4FFAR1ALDH1A1
SCHEMBL4126470 0.84 FFAR1 (0.70) AKR1C3AKR1C1HDAC4FFAR1ALDH1A1
SCHEMBL323824 0.84 FFAR1 (0.70) AKR1C3AKR1C1HDAC4FFAR1ALDH1A1
SCHEMBL2034678 0.84 FFAR1 (0.70) AKR1C3AKR1C1HDAC4FFAR1ALDH1A1
SCHEMBL5315326 0.84 FFAR1 (0.70) AKR1C3AKR1C1HDAC4FFAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2012082725-A1 CONTINUOUS DEHYDROGENATION OF 1,4-CARBOXYLATE SUBSTITUTED CYCLOHEXENES Amyris, Inc. (US) 2012-06-21 WO disclosed
WO-2012082727-A1 BIOBASED POLYAMIDES 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

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-20110288310-A1 CYCLOHEXANE 1,4 CARBOXYLATES CNR2, CBR1, CCR4 AKR1C3 195/4885AKR1C1 271/4885HDAC4 962/4885
US-20110282078-A1 CYCLOHEXENE 1,4 -CARBOXYLATES CBR1, MCM4, CCR4 AKR1C3 103/4885AKR1C1 147/4885HDAC4 1238/4885
US-20110288311-A1 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF TRIM4, DDT, PICALM AKR1C3 495/4885AKR1C1 598/4885HDAC4 2570/4885

“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.