SCHEMBL13711766

SCHEMBL13711766

CCCCCCCCc1ccc(CNc2ccc3c(c2)C(=O)OC(C)(C)O3)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ UNG P13051 3/20 0.41
▸ PLK1 P53350 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ THRA P10827 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ DYRK2 Q92630 1/20 0.37
▸ S1PR1 P21453 3/20 0.37
▸ S1PR3 Q99500 3/20 0.37
▸ S1PR2 O95136 2/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ LPL P06858 3/20 0.36
▸ LIPG Q9Y5X9 3/20 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
SCHEMBL1813904 0.89 POLB (0.41) UNGPLK1POLBTDP1L3MBTL1
Hydrochloric Acid SCHEMBL2858475 0.89 POLB (0.40) UNGPLK1POLBTDP1L3MBTL1
SCHEMBL2851000 0.85 FFAR1 (0.40) POLBTDP1L3MBTL1THRBALDH1A1
SCHEMBL12656088 0.83 POLB (0.43) UNGPLK1POLBTDP1L3MBTL1
SCHEMBL13513484 0.83 KDM4E (0.52) UNGPLK1POLBALDH1A1NPSR1
SCHEMBL1812878 0.81 POLB (0.38) UNGPLK1POLBTDP1L3MBTL1
SCHEMBL1813337 0.81 POLB (0.41) UNGPLK1POLBTDP1L3MBTL1
SCHEMBL2858417 0.80 POLB (0.36) POLBALDH1A1CRHBPHTTCRHR2
SCHEMBL25961101 0.79 TDP1 (0.43) POLBTDP1L3MBTL1ALDH1A1CRHBP
SCHEMBL1815305 0.77 ALDH1A1 (0.40) THRBALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 — — US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 — — 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-20070105913-A1 Alkynyl aryl carboxamides ECHS1, IRS1, HCCS UNG 4545/4885PLK1 4382/4885POLB 4680/4885

“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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