SCHEMBL19840673

SCHEMBL19840673

CCCCc1ncoc1C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36
ALDH1A1 P00352 5/20 0.35
NFKB1 P19838 2/20 0.35

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
SCHEMBL18599000 0.95 IMPDH2 (0.36) IMPDH2IMPDH1ALDH1A1MEN1KMT2A
SCHEMBL17826659 0.82 KMT2A (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7835691 0.69 CDC25A (0.45) ALDH1A1TSHRMEN1ALOX15KMT2A
SCHEMBL3281297 0.68 TDP1 (0.36) ALDH1A1CYP3A4KDM4EMEN1LMNA
SCHEMBL22043212 0.68 ALDH1A1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23052513 0.68 CYP2C9 (0.35) IMPDH2IMPDH1ALDH1A1KDM4EMEN1
SCHEMBL8613762 0.67
SCHEMBL28119464 0.67 THRA (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18598999 0.67 CTRC (0.38) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL8998740 0.66 GLA (0.37) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192866-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-12-07 US disclosed
US-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-11-14 US disclosed
US-9884830-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-02-06 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 (2 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-11192866-B2 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC IMPDH2 2220/4885IMPDH1 1595/4885GABRP 3958/4885
US-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC IMPDH2 2220/4885IMPDH1 1595/4885GABRP 3958/4885

“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.