SCHEMBL29829113

SCHEMBL29829113

CCCCCCCCN(CCCCCCCC)Cn1nnc2c(C(=O)O)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 3/20 0.41
▸ HCAR3 P49019 2/20 0.38
▸ SLC9A1 P19634 3/20 0.38
▸ ICMT O60725 1/20 0.38
▸ ALB P02768 1/20 0.38
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ASAH1 Q13510 1/20 0.35
▸ PPARG P37231 2/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ DRD3 P35462 1/20 0.34

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
SCHEMBL2845757 1.00 GRM2 (0.41) GRM2HCAR3SLC9A1ICMTALB
SCHEMBL29564879 0.95 GRM2 (0.43) GRM2HCAR3SLC9A1CA12CA9
SCHEMBL2848831 0.95 GRM2 (0.43) GRM2HCAR3SLC9A1CA12CA9
SCHEMBL15517000 0.84 GRM2 (0.35) GRM2ALDH1A1
SCHEMBL11490926 0.84 GRM2 (0.56) GRM2HCAR3SLC9A1PSEN1PSEN2
SCHEMBL30627901 0.82 GRM2 (0.46) GRM2SLC9A1MCHR1DRD2OPRM1
SCHEMBL6241554 0.82 GRM2 (0.46) GRM2SLC9A1MCHR1DRD2OPRM1
SCHEMBL17728249 0.82 GRM2 (0.46) GRM2SLC9A1MCHR1DRD2OPRM1
SCHEMBL2851551 0.81 ALDH1A1 (0.38) GRM2HCAR3ALDH1A1
SCHEMBL28411473 0.81 GRM2 (0.62) GRM2HCAR3SLC9A1ALDH1A1

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
EP-4683961-A1 ALKOXY-FUNCTIONAL SILSESQUIOXANE RESIN AND PROCESSES FOR THE PREPARATION AND USE THEREOF DOW GLOBAL TECHNOLOGIES LLC (US) 2026-01-28 — — EP disclosed
WO-2024196439-A1 ALKOXY-FUNCTIONAL SILSESQUIOXANE RESIN AND PROCESSES FOR THE PREPARATION AND USE THEREOF DOW GLOBAL TECHNOLOGIES LLC (US) 2024-09-26 — — WO disclosed
CN-115003775-B Colorant for heat transfer fluid and composition containing same KD精细化工有限公司 2024-03-19 — — CN disclosed
CN-114787288-B Colorant for heat transfer fluid and composition containing same KD精细化工有限公司 2024-02-13 — — CN disclosed
CN-116601262-A Heat transfer fluid compositions with improved thermal stability KD精细化工有限公司 2023-08-15 — — CN disclosed
CN-116472324-A Cooling liquid composition for electric automobile KD精细化工有限公司 2023-07-21 — — CN disclosed
US-20220363697-A1 COLORANT FOR HEAT TRANSFER FLUID, AND COMPOSITION COMPRISING SAME KD FINECHEM CO., LTD. (KR) 2022-11-17 — — US disclosed
CN-115003775-A Colorants for heat transfer fluids and compositions containing the same KD精细化工有限公司 2022-09-02 — — CN disclosed
CN-114787288-A Colorant for heat transfer fluid and composition comprising same KD精细化工有限公司 2022-07-22 — — CN 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 (1 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-20220363697-A1 COLORANT FOR HEAT TRANSFER FLUID, AND COMPOSITION COMPRISING SAME TRMT1, GFPT1, TRMT1L GRM2 4510/4885HCAR3 4295/4885SLC9A1 200/4885

“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.

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