SCHEMBL31604

SCHEMBL31604

CCCC(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CTSK P43235 4/20 0.41
CTSS P25774 3/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 2/20 0.38
MAPK1 P28482 1/20 0.38
NOS1 P29475 2/20 0.36

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
SCHEMBL3325978 0.91 CTSK (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27343844 0.88 CA2 (0.48) CTSKCTSSMEN1GAAKMT2A
SCHEMBL7804092 0.88 CA2 (0.48) CTSKCTSSMEN1GAAKMT2A
SCHEMBL1618549 0.86 GPR84 (0.46) CTSKCTSSMEN1GAAKMT2A
SCHEMBL3326024 0.86 ALDH1A1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28657458 0.85 GPR84 (0.48) CA2MAPK1SLC1A2SLC1A1GRIK1
SCHEMBL7100720 0.85 GPR84 (0.48) CA2MAPK1SLC1A2SLC1A1GRIK1
SCHEMBL28766383 0.85 GPR84 (0.48) CA2MAPK1SLC1A2SLC1A1GRIK1
SCHEMBL9659765 0.85 GPR84 (0.48) CA2MAPK1SLC1A2SLC1A1GRIK1
SCHEMBL28994389 0.85 GPR84 (0.48) CA2MAPK1SLC1A2SLC1A1GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630512-B2 Agents for differentiating stem cells and treating cancer MINERVA BIOTECHNOLOGIES CORPORATION (US) 2026-05-19 US disclosed
EP-3600451-B1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MINERVA BIOTECHNOLOGIES CORP (US) 2025-12-24 EP disclosed
WO-2025098432-A1 mIDH1/NAMPT DUAL-TARGET INHIBITOR AND USE THEREOF 中国药科大学 2025-05-15 WO disclosed
US-12202799-B2 Agents for differentiating stem cells and treating cancer MINERVA BIOTECHNOLOGIES CORPORATION (US) 2025-01-21 US disclosed
US-20240409515-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MINERVA BIOTECHNOLOGIES CORPORATION 2024-12-12 US disclosed
CN-117510484-B MIDH1/NAMPT double-target inhibitor and application thereof 中国药科大学 2024-11-22 CN disclosed
CN-117510484-A mIDH1/NAMPT double-target inhibitor and application thereof 中国药科大学 2024-02-06 CN disclosed
US-20220242823-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MINERVA BIOTECHNOLOGIES CORPORATION 2022-08-04 US disclosed
US-9505779-B2 Tacrolimus analogues, a neuroprotective composition comprising the same, an immunosuppressive composition comprising the same, a method for preparing the same, and a mutant for producing the same INTRON BIOTECHNOLOGY, INC. (KR) 2016-11-29 US disclosed
US-9505779-B2 Tacrolimus analogues, a neuroprotective composition comprising the same, an immunosuppressive composition comprising the same, a method for preparing the same, and a mutant for producing the same INTRON BIOTECHNOLOGY, INC. (KR) 2016-11-29 US disclosed
US-20130230559-A1 NOVEL TACROLIMUS ANALOGUES, A NEUROPROTECTIVE COMPOSITION COMPRISING THE SAME, AN IMMUNOSUPPRESSIVE COMPOSITION COMPRISING THE SAME, A METHOD FOR PREPARING THE SAME, AND A MUTANT FOR PRODUCING THE SAME Ewha University - Industry Collaboration Foundatio (KR) 2013-09-05 US disclosed
US-20130230559-A1 NOVEL TACROLIMUS ANALOGUES, A NEUROPROTECTIVE COMPOSITION COMPRISING THE SAME, AN IMMUNOSUPPRESSIVE COMPOSITION COMPRISING THE SAME, A METHOD FOR PREPARING THE SAME, AND A MUTANT FOR PRODUCING THE SAME Ewha University - Industry Collaboration Foundatio (KR) 2013-09-05 US disclosed
WO-2012026665-A1 NOVEL TACROLIMUS DERIVATIVES, A NEUROPROTECTIVE COMPOSITION COMPRISING THE SAME, AN IMMUNOSUPPRESSIVE COMPOSITION COMPRISING THE SAME, A METHOD FOR PREPARING THE SAME, AND A MUTANT FOR PRODUCING THE SAME EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2012-03-01 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 (5 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-12202799-B2 Agents for differentiating stem cells and treating cancer MCL1, CD44, CRABP2 CHRM1 2541/4885AKR1A1 3336/4885CHRM3 1087/4885
US-12630512-B2 Agents for differentiating stem cells and treating cancer MCL1, POU2F1, NES CHRM1 192/4885AKR1A1 1818/4885CHRM3 413/4885
US-20240409515-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MCL1, CD44, CRABP2 CHRM1 2541/4885AKR1A1 3336/4885CHRM3 1087/4885
US-20220242823-A1 AGENTS FOR DIFFERENTIATING STEM CELLS AND TREATING CANCER MCL1, CD44, CRABP2 CHRM1 2541/4885AKR1A1 3336/4885CHRM3 1087/4885
US-20130230559-A1 NOVEL TACROLIMUS ANALOGUES, A NEUROPROTECTIVE COMPOSITION COMPRISING THE SAME, AN IMMUNOSUPPRESSIVE COMPOSITION COMPRISING THE SAME, A METHOD FOR PREPARING THE SAME, AND A MUTANT FOR PRODUCING THE SAME CTSA, TPSAB1, ARSA CHRM1 1826/4885AKR1A1 999/4885CHRM3 2604/4885

“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.