SCHEMBL2393271

SCHEMBL2393271

COOC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
ALDH1A1 P00352 2/20 0.56
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.50
F2 P00734 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
SRD5A2 P31213 3/20 0.48
CA12 O43570 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA3 P07451 1/20 0.46
TYR P14679 1/20 0.46
DRD1 P21728 1/20 0.46
CA5A P35218 1/20 0.46

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
Benzoic Acid SCHEMBL25435080 0.91 LMNA (0.64) CA1CA2ALDH1A1TSHRTP53
SCHEMBL2393266 0.91 LMNA (0.52) CA1CA2ALDH1A1TSHRF2
SCHEMBL11512239 0.85 TSHR (0.67) CA1CA2ALDH1A1TSHRTP53
SCHEMBL22832 0.84 LMNA (0.73) ALDH1A1TSHRTP53SMN1; SMN2F2
Benzene SCHEMBL28159757 0.84 LMNA (0.73) ALDH1A1TSHRTP53SMN1; SMN2F2
SCHEMBL20953380 0.84 CA1 (0.48) CA1CA2ALDH1A1TSHRSMN1; SMN2
SCHEMBL19578373 0.82 HPGD (0.52) CA1CA2ALDH1A1TSHRSMN1; SMN2
SCHEMBL5493258 0.82 CA1 (0.45) CA1CA2ALDH1A1TSHRF2
SCHEMBL6341742 0.82 CA1 (0.68) CA1CA2ALDH1A1TSHRSMN1; SMN2
SCHEMBL28241417 0.82 LMNA (0.70) ALDH1A1TSHRTP53SMN1; SMN2F2

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-10364251-B2 Polyesters from assymetrical monomers based upon bisanhydrohexitols NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2019-07-30 US disclosed
US-20170210750-A1 Polyesters From Assymetrical Monomers Based Upon Bisanhydrohexitols NEW JERSEY INSTITUTE OF TECHNOLOGY 2017-07-27 US disclosed
US-9580544-B2 Polyesters from asymetrical monomers based upon bisanhydrohexitols NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2017-02-28 US disclosed
EP-2547708-A2 NEW POLYESTERS FROM ASYMMETRICAL MONOMERS BASED UPON BISANHYDROHEXITOLS New Jersey Institute of Technology (US) 2013-01-23 EP disclosed
US-20110237757-A1 Polyesters From Assymetrical Monomers Based Upon Bisanhydrohexitols IOWA CORN PROMOTION BOARD (US) 2011-09-29 US disclosed
WO-2011116275-A2 NEW POLYESTERS FROM ASYMMETRICAL MONOMERS BASED UPON BISANHYDROHEXITOLS NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2011-09-22 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-10364251-B2 Polyesters from assymetrical monomers based upon bisanhydrohexitols ACMSD, AKR1C2, ALDOA CA1 2423/4885CA2 1086/4885ALDH1A1 1035/4885
US-20110237757-A1 Polyesters From Assymetrical Monomers Based Upon Bisanhydrohexitols ADSL, FHIT, ADSS2 CA1 2807/4885CA2 1823/4885ALDH1A1 696/4885
US-20170210750-A1 Polyesters From Assymetrical Monomers Based Upon Bisanhydrohexitols ADSL, FHIT, ADSS2 CA1 2807/4885CA2 1823/4885ALDH1A1 696/4885

“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.