SCHEMBL2436534

SCHEMBL2436534

COC(=O)c1cccc(Oc2cccc(C(=O)OC)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.59
TP53 P04637 2/20 0.59
AKR1C3 P42330 1/20 0.58
TSHR P16473 1/20 0.57
LOXL2 Q9Y4K0 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
TNKS O95271 1/20 0.53

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
SCHEMBL521860 0.94 AKR1C3 (0.68) L3MBTL1SMN1; SMN2TP53AKR1C3TSHR
SCHEMBL5558318 0.93 SMN1; SMN2 (0.66) L3MBTL1SMN1; SMN2TP53TSHRRAB9A
SCHEMBL883130 0.93 TNKS (0.60) L3MBTL1SMN1; SMN2TP53AKR1C3TSHR
SCHEMBL25620305 0.93 MEN1 (0.59) L3MBTL1SMN1; SMN2TP53AKR1C3TSHR
SCHEMBL3510175 0.91 ESR1 (0.65) L3MBTL1SMN1; SMN2TP53AKR1C3TSHR
SCHEMBL14217726 0.90 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2TP53AKR1C3TSHR
SCHEMBL4939679 0.90 MRGPRX4 (0.66) L3MBTL1SMN1; SMN2TP53AKR1C3LOXL2
SCHEMBL8367495 0.90 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2TP53AKR1C3TSHR
SCHEMBL12260934 0.88 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2TP53AKR1C3TSHR
SCHEMBL2266392 0.88 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2TP53AKR1C3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447230-B2 Polyester ethers derived from asymmetrical monomers based upon bisanydrohexitols NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2016-09-20 US claimed
US-10377765-B2 Polyester ethers derived from asymmetrical monomers based upon bisanhydrohexitols NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2019-08-13 US disclosed
US-20160369046-A1 NEW POLYESTER ETHERS DERIVED FROM ASYMMETRICAL MONOMERS BASED UPON BISANHYDROHEXITOLS NEW JERSEY INSTITUTE OF TECHNOLOGY 2016-12-22 US disclosed
US-9447230-B2 Polyester ethers derived from asymmetrical monomers based upon bisanydrohexitols NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2016-09-20 US disclosed
US-9447230-B2 Polyester ethers derived from asymmetrical monomers based upon bisanydrohexitols NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2016-09-20 US disclosed
EP-2548203-A1 NEW POLYESTER ETHERS DERIVED FROM ASYMMETRICAL MONOMERS BASED UPON BISANHYDROHEXITOLS New Jersey Institute of Technology (US) 2013-01-23 EP disclosed
US-20110257346-A1 Polyester Ethers Derived From Asymmetrical Monomers Based Upon Bisanydrohexitols IOWA CORN PROMOTION BOARD (US) 2011-10-20 US disclosed
WO-2011116270-A1 NEW POLYESTER ETHERS DERIVED 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-20160369046-A1 NEW POLYESTER ETHERS DERIVED FROM ASYMMETRICAL MONOMERS BASED UPON BISANHYDROHEXITOLS GNE, DCXR, DERA L3MBTL1 1654/4885SMN1; SMN2 3870/4885TP53 3885/4885
US-10377765-B2 Polyester ethers derived from asymmetrical monomers based upon bisanhydrohexitols DCXR, CBR1, AKR1C4 L3MBTL1 4136/4885SMN1; SMN2 3611/4885TP53 3932/4885
US-20110257346-A1 Polyester Ethers Derived From Asymmetrical Monomers Based Upon Bisanydrohexitols GNE, FHIT, DCXR L3MBTL1 1781/4885SMN1; SMN2 4226/4885TP53 3450/4885

“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.