SCHEMBL10245551

SCHEMBL10245551

Cc1cc(CO)c(O)c(C(C)(C)C)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.75
CYP2C9 P11712 5/20 0.72
CYP2C19 P33261 5/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
HIF1A Q16665 4/20 0.72
ALDH1A1 P00352 4/20 0.65
CA2 P00918 3/20 0.65
POLB P06746 1/20 0.65
TYR P14679 1/20 0.65
CYP2D6 P10635 2/20 0.64
HSD17B10 Q99714 1/20 0.64
CA1 P00915 2/20 0.45
CYP1A2 P05177 3/20 0.44
TP53 P04637 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 2/20 0.43
ALOX15 P16050 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL29415372 0.86 HSPA5 (1.00) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL29351672 0.86 HSPA5 (1.00) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL29558774 0.86 HSPA5 (0.78) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL34162 0.86 HSPA5 (1.00) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL2230912 0.86 HSPA5 (0.78) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
Ethylene Glycol SCHEMBL11769531 0.85 HSPA5 (0.89) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL11330811 0.85 HSPA5 (0.70) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL11247674 0.84 CYP2C9 (1.00) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL29410654 0.84 HSPA5 (0.96) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL30123824 0.84 HSPA5 (0.75) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116693578-B Iron-based complex and preparation method thereof, and method for preparing polycarbonate and catalyzing polymerization of epoxy cyclohexane and phthalic anhydride by catalysis 中国石油大学(北京) 2025-04-22 CN disclosed
CN-116693578-A Iron-based complex and preparation method thereof, and method for preparing polycarbonate and catalyzing polymerization of epoxy cyclohexane and phthalic anhydride by catalysis 中国石油大学(北京) 2023-09-05 CN disclosed
US-8193249-B2 Triptolide analogs for the treatment of autoimmune and inflammatory disorders EMORY UNIVERSITY (US) 2012-06-05 US disclosed
US-8193249-B2 Triptolide analogs for the treatment of autoimmune and inflammatory disorders EMORY UNIVERSITY (US) 2012-06-05 US disclosed
US-20100324133-A1 Branched Diepoxide Compounds for the Treatment of Inflammatory Disorders LIOTTA DENNIS C 2010-12-23 US disclosed
US-20100324133-A1 Branched Diepoxide Compounds for the Treatment of Inflammatory Disorders LIOTTA DENNIS C 2010-12-23 US disclosed
US-20090234000-A1 Triptolide Analogs for the Treatment of Autoimmune and Inflammatory Disorders WANG SUSHENG 2009-09-17 US disclosed
US-20090234000-A1 Triptolide Analogs for the Treatment of Autoimmune and Inflammatory Disorders WANG SUSHENG 2009-09-17 US disclosed
WO-2009089285-A2 BRANCHED DIEPOXIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS EMORY UNIVERSITY (US) 2009-07-16 WO disclosed
US-7557139-B2 Triptolide analogs for the treatment of autoimmune and inflammatory disorders EMORY UNIVERSITY (US) 2009-07-07 US disclosed
US-7557139-B2 Triptolide analogs for the treatment of autoimmune and inflammatory disorders EMORY UNIVERSITY (US) 2009-07-07 US disclosed
EP-0104643-A2 5-Membered cyclic phosphonates and compositions thereof The B.F. GOODRICH Company (US) 1984-04-04 EP disclosed
US-4439564-A 5-Membered cyclic phosphonates and compositions thereof THE B. F. GOODRICH CO. (US) 1984-03-27 US disclosed
US-4035435-A FORMALDEHYDE, RESORCINOL COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN, RAISON SOCIALE MICHELIN & CIE (FR) 1977-07-12 US disclosed
US-4025454-A PHENOLIC RESIN BLEND COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN, RAISON SOCIALE MICHELIN & CIE (FR) 1977-05-24 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-20100324133-A1 Branched Diepoxide Compounds for the Treatment of Inflammatory Disorders HPGDS, LTB4R2, TNF HSPA5 1969/4885CYP2C9 2309/4885CYP2C19 1857/4885
US-20090234000-A1 Triptolide Analogs for the Treatment of Autoimmune and Inflammatory Disorders SSB, ENPP2, NOD1 HSPA5 3140/4885CYP2C9 2144/4885CYP2C19 3336/4885

“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.