SCHEMBL12556709

SCHEMBL12556709

C[C@@H]1O[C@@H](C)[C@H](O)C(O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 3/20 0.48
CA2 P00918 4/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
GBA1 P04062 2/20 0.41
LMNA P02545 1/20 0.39
APP P05067 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
APAF1 O14727 1/20 0.34
NSD2 O96028 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
CA1 P00915 3/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL9961617 1.00 FUCA1 (0.48) FUCA1CA2CA9CA12GBA1
SCHEMBL17773082 1.00 FUCA1 (0.48) FUCA1CA2CA9CA12GBA1
SCHEMBL14555970 1.00 FUCA1 (0.48) FUCA1CA2CA9CA12GBA1
SCHEMBL19807973 1.00 FUCA1 (0.48) FUCA1CA2CA9CA12GBA1
SCHEMBL23541364 1.00 FUCA1 (0.48) FUCA1CA2CA9CA12GBA1
SCHEMBL11962132 1.00 FUCA1 (0.48) FUCA1CA2CA9CA12GBA1
SCHEMBL24862325 1.00 FUCA1 (0.48) FUCA1CA2CA9CA12GBA1
SCHEMBL15746583 1.00 FUCA1 (0.48) FUCA1CA2CA9CA12GBA1
SCHEMBL22923476 1.00 FUCA1 (0.48) FUCA1CA2CA9CA12GBA1
SCHEMBL14684293 1.00 FUCA1 (0.48) FUCA1CA2CA9CA12GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023066885-A1 SAPONIN PRODUCTION GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2023-04-27 WO disclosed
US-20180020708-A1 GLUCOSYRINGIC ACID ANALOGS AS SWEETNESS PROFILE MODIFIERS PEPSICO, INC. 2018-01-25 US disclosed
US-9670247-B2 Contraceptive agents THE UNIVERSITY OF KANSAS (US) 2017-06-06 US disclosed
US-9670247-B2 Contraceptive agents THE UNIVERSITY OF KANSAS (US) 2017-06-06 US disclosed
EP-1370566-B1 SYNTHETIC DERIVATIVES OF 21-BUTENYL AND RELATED SPINOSYNS DOW AGROSCIENCES LLC (US) 2017-04-19 EP disclosed
US-20130035321-A1 COMPOUNDS FOR THE TREATMENT OF OCULAR CANCER ANALYTICON DISCOVERY GMBH (DE) 2013-02-07 US disclosed
WO-2011068876-A1 COMPOUNDS FOR THE TREATMENT OF OCULAR CANCER SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-06-09 WO disclosed
US-7605241-B2 Synthesis of inhibitors of p90Rsk UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-10-20 US disclosed
US-20080269144-A1 Synthesis of Inhibitors of P90Rsk UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-10-30 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 (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-20080269144-A1 Synthesis of Inhibitors of P90Rsk RAF1, KSR1, STK10 FUCA1 1808/4885CA2 4753/4885CA9 4843/4885
US-20130035321-A1 COMPOUNDS FOR THE TREATMENT OF OCULAR CANCER RB1, MKI67, ING2 FUCA1 1331/4885CA2 772/4885CA9 252/4885
US-20180020708-A1 GLUCOSYRINGIC ACID ANALOGS AS SWEETNESS PROFILE MODIFIERS GPR119, TAS2R42, TAS2R31 FUCA1 562/4885CA2 1101/4885CA9 940/4885

“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.