SCHEMBL2484782

SCHEMBL2484782

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@@]2(O)C(=O)O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 10/20 0.84
LMNA P02545 2/20 0.84
NR3C1 P04150 8/20 0.80
SMN1; SMN2 Q16637 3/20 0.80
CYP2C19 P33261 2/20 0.80
HSD17B10 Q99714 2/20 0.80
PGR P06401 2/20 0.80
SERPINA6 P08185 2/20 0.80
CYP3A4 P08684 2/20 0.80
NFKB1 P19838 2/20 0.80
MAPT P10636 2/20 0.80
SHBG P04278 1/20 0.80
NR3C2 P08235 1/20 0.80
KMT2A Q03164 1/20 0.80
AR P10275 1/20 0.73
CHRM1 P11229 1/20 0.73
PMP22 Q01453 1/20 0.65
TSHR P16473 1/20 0.65
POLB P06746 1/20 0.64
GAA P10253 1/20 0.64

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
SCHEMBL1626384 1.00 HIF1A (0.84) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL13043685 1.00 HIF1A (0.84) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL1626382 1.00 HIF1A (0.84) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL13147966 1.00 HIF1A (0.84) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL9796862 0.92 HIF1A (0.81) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL9796867 0.92 HIF1A (0.81) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL139280 0.92 HIF1A (1.00) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL139279 0.92 HIF1A (1.00) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL14523057 0.92 HIF1A (1.00) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL19327109 0.92 HIF1A (1.00) HIF1ALMNANR3C1SMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957451-B1 SOFT ANTICHOLINERGIC ZWITTERIONS BODOR NICHOLAS S (US) 2011-10-19 EP claimed
US-20230096494-A1 Isobaric Multiplex Reagents for Carbonyl Containing Compound High-Throughput Quantitative Analysis WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-03-30 US disclosed
US-11535576-B2 Carbonyl containing compound high-throughput quantitative analysis using isobaric multiplex reagents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2022-12-27 US disclosed
US-20190225559-A1 Isobaric Multiplex Reagents for Carbonyl Containing Compound High-Throughput Quantitative Analysis WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-07-25 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-11535576-B2 Carbonyl containing compound high-throughput quantitative analysis using isobaric multiplex reagents MCCC2, FABP4, FABP5 HIF1A 1496/4885LMNA 3243/4885NR3C1 3995/4885
US-20230096494-A1 Isobaric Multiplex Reagents for Carbonyl Containing Compound High-Throughput Quantitative Analysis FABP4, MCCC2, FABP5 HIF1A 1792/4885LMNA 3419/4885NR3C1 4031/4885
US-20190225559-A1 Isobaric Multiplex Reagents for Carbonyl Containing Compound High-Throughput Quantitative Analysis FABP4, MCCC2, FABP5 HIF1A 1792/4885LMNA 3419/4885NR3C1 4031/4885

“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.