SCHEMBL5856909

SCHEMBL5856909

CC(=O)OCc1ccc(CO)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TDP1 Q9NUW8 3/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
NOTUM Q6P988 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2541634 0.92 ALDH1A1 (0.60) ALDH1A1TDP1SMN1; SMN2HPGDNPC1
SCHEMBL257112 0.85 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2HPGDNPC1
SCHEMBL10261585 0.85 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2HPGDNPC1
SCHEMBL17485847 0.83 ALDH1A1 (0.51) ALDH1A1TDP1SMN1; SMN2HPGDNPC1
SCHEMBL6999435 0.83 ALDH1A1 (0.51) ALDH1A1TDP1SMN1; SMN2HPGDNPC1
SCHEMBL4140284 0.83 ALDH1A1 (0.51) ALDH1A1TDP1SMN1; SMN2HPGDNPC1
SCHEMBL3974470 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL29141709 0.81 TDP1 (0.46) ALDH1A1TDP1SMN1; SMN2HPGDNPC1
SCHEMBL28045560 0.80 ELANE (0.46) ALDH1A1TDP1SMN1; SMN2HPGDNPC1
SCHEMBL19220827 0.80 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2989094-A1 CATALYTIC SYNTHESIS OF REDUCED FURAN DERIVATIVES Archer Daniels Midland Company (US) 2016-03-02 EP claimed
US-20160052902-A1 CATALYTIC SYNTHESIS OF REDUCED FURAN DERIVATIVES ARCHER DANIELS MIDLAND CO (US) 2016-02-25 US claimed
WO-2014175989-A1 CATALYTIC SYNTHESIS OF REDUCED FURAN DERIVATIVES ARCHER DANIELS MIDLAND COMPANY (US) 2014-10-30 WO claimed
US-20170226075-A1 Synthesis of Non-Ionic Surfactants From 5-Hydroxymethyl-2-Furfural, Furan-2,5-Dimethanol and Bis-2,5-Dihydroxymethyl-Tetrahydrofurans ARCHER DANIELS MIDLAND CO (US) 2017-08-10 US disclosed
EP-2989094-A1 CATALYTIC SYNTHESIS OF REDUCED FURAN DERIVATIVES Archer Daniels Midland Company (US) 2016-03-02 EP disclosed
US-20160052902-A1 CATALYTIC SYNTHESIS OF REDUCED FURAN DERIVATIVES ARCHER DANIELS MIDLAND CO (US) 2016-02-25 US disclosed
WO-2014175989-A1 CATALYTIC SYNTHESIS OF REDUCED FURAN DERIVATIVES ARCHER DANIELS MIDLAND COMPANY (US) 2014-10-30 WO disclosed
WO-2014175989-A1 CATALYTIC SYNTHESIS OF REDUCED FURAN DERIVATIVES ARCHER DANIELS MIDLAND COMPANY (US) 2014-10-30 WO disclosed
US-RE39199-E1 Antipsoriatic compositions, method of making, and method of using MOADY NASEBA 2006-07-18 US disclosed
EP-1166791-A2 Antipsoriatic compositions comprising an asphodelus extract, method of making, and method of using Moady, Said (US) 2002-01-02 EP disclosed
US-5852060-A Antipsoriatic compositions, method of making, and method of using MOADY MARZOOK (US) 1998-12-22 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 (2 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-20170226075-A1 Synthesis of Non-Ionic Surfactants From 5-Hydroxymethyl-2-Furfural, Furan-2,5-Dimethanol and Bis-2,5-Dihydroxymethyl-Tetrahydrofurans MTHFD2, DHFR, DHPS ALDH1A1 2080/4885TDP1 748/4885SMN1; SMN2 3104/4885
US-20160052902-A1 CATALYTIC SYNTHESIS OF REDUCED FURAN DERIVATIVES ADH5, FASN, ADH1C ALDH1A1 45/4885TDP1 2801/4885SMN1; SMN2 3994/4885

“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.