SCHEMBL819291

SCHEMBL819291

O=C(O)c1ccc(C(=O)OCl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
TP53 P04637 1/20 0.60
ALOX15 P16050 1/20 0.54
SRD5A2 P31213 4/20 0.52
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
TYR P14679 1/20 0.50
DRD1 P21728 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
ALDH1A1 P00352 3/20 0.48
TPMT P51580 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL27302801 0.95 TSHR (0.55) TSHRTP53ALOX15SRD5A2CA1
Acetic Acid SCHEMBL17819042 0.93 TSHR (0.52) TSHRTP53ALOX15SRD5A2CA1
Ethylene Glycol SCHEMBL17819037 0.91 TSHR (0.50) TSHRTP53ALOX15SRD5A2CA1
Benzoic Acid SCHEMBL28063446 0.91 TSHR (0.64) TSHRTP53ALOX15SRD5A2ALDH1A1
SCHEMBL3171176 0.89 CA1 (0.44) TSHRTP53CA1CA2CA12
SCHEMBL27302798 0.87 LMNA (0.44) TSHRTP53ALOX15SRD5A2CA1
SCHEMBL1013454 0.82 LMNA (0.64) TSHRTP53CA1CA2CA12
Ammonia Solution, Strong SCHEMBL29023700 0.80 LMNA (0.61) TSHRTP53CA1CA2CA12
SCHEMBL28418175 0.80 LMNA (0.61) TSHRTP53CA1CA2CA12
SCHEMBL8746935 0.80 LMNA (0.61) TSHRTP53CA1CA2CA12

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
CN-1035395-C Fibers with improved hydrolytic stability DU PONT (US) 1997-07-09 CN claimed
CN-1047350-A Fiber with hydrolytic stability of improvement DU PONT (US) 1990-11-28 CN claimed
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
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 TSHR 4873/4885TP53 2929/4885ALOX15 2495/4885
US-20110282078-A1 CYCLOHEXENE 1,4 -CARBOXYLATES CBR1, MCM4, CCR4 TSHR 4840/4885TP53 2492/4885ALOX15 1979/4885
US-20110288311-A1 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF TRIM4, DDT, PICALM TSHR 4009/4885TP53 1978/4885ALOX15 1319/4885
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES MUC1, FUT6, ST6GAL1 TSHR 762/4885TP53 1643/4885ALOX15 401/4885

“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.