SCHEMBL10248089

SCHEMBL10248089

CC(C)C(=O)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
S1PR3 Q99500 3/20 0.44
S1PR1 P21453 2/20 0.44
ADH1C P00326 2/20 0.42
ADH1A P07327 2/20 0.42
ADH1B P00325 1/20 0.42
PHGDH O43175 1/20 0.40
GAA P10253 1/20 0.39
FDPS P14324 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL10247857 0.98 TSHR (0.43) TSHRS1PR3S1PR1ADH1CADH1A
SCHEMBL2278722 0.84 SLC6A2 (0.54)
SCHEMBL17281560 0.83 TSHR (0.44) TSHRS1PR3S1PR1ADH1CADH1A
SCHEMBL27689192 0.81 TSHR (0.42) TSHRS1PR3S1PR1ADH1CADH1A
SCHEMBL19652194 0.81 TSHR (0.43) TSHRS1PR3S1PR1GAA
SCHEMBL17774457 0.80 ADH1B (0.41) TSHRADH1CADH1AADH1BFDPS
SCHEMBL12308324 0.80 ADH1C (0.45) TSHRADH1CADH1AADH1BPHGDH
SCHEMBL10487914 0.79 PHGDH (0.41) TSHRS1PR3S1PR1PHGDHGAA
SCHEMBL9432694 0.79 PHGDH (0.41) TSHRS1PR3S1PR1PHGDHGAA
SCHEMBL10247838 0.78 HPGD (0.38) TSHRS1PR3S1PR1ADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111989336-B Metal complexes comprising amidine and indole fused cyclopentadienyl ligands 阿朗新科荷兰有限公司 2023-07-07 CN disclosed
US-20210363150-A1 ARYL TRIAZOLE CAGES UNITED STATES DEPARTMENT OF ENERGY 2021-11-25 US disclosed
US-8647812-B2 Pattern forming method, chemical amplification resist composition and resist film FUJIFILM CORPORATION (JP) 2014-02-11 US disclosed
US-20130011619-A1 PATTERN FORMING METHOD, CHEMICAL AMPLIFICATION RESIST COMPOSITION AND RESIST FILM FUJIFILM CORPORATION (JP) 2013-01-10 US disclosed
US-20120076996-A1 RESIST COMPOSITION, RESIST FILM THEREFROM AND METHOD OF FORMING PATTERN THEREWITH FUJIFILM CORPORATION (JP) 2012-03-29 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 (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-20210363150-A1 ARYL TRIAZOLE CAGES CAT, SOD1, SOD3 TSHR 978/4885S1PR3 4598/4885S1PR1 4837/4885

“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.