SCHEMBL23950586

SCHEMBL23950586

CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(C)=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.73
F7 P08709 6/20 0.73
F3 P13726 6/20 0.73
CYP19A1 P11511 5/20 0.73
PPARG P37231 5/20 0.73
PPARD Q03181 4/20 0.73
PPARA Q07869 4/20 0.73
OXER1 Q8TDS5 4/20 0.73
KDM4E B2RXH2 4/20 0.73
FFAR1 O14842 4/20 0.73
MAPT P10636 3/20 0.73
CYP3A4 P08684 3/20 0.73
ALOX15 P16050 3/20 0.73
HSD17B10 Q99714 3/20 0.73
TDP1 Q9NUW8 3/20 0.73
PTGS1 P23219 3/20 0.73
KMT2A Q03164 2/20 0.73
LMNA P02545 2/20 0.73
HPGD P15428 2/20 0.73
FFAR4 Q5NUL3 2/20 0.73

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
SCHEMBL9183250 1.00 ALDH1A1 (0.73) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL9881028 1.00 ALDH1A1 (0.73) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL15908482 1.00 ALDH1A1 (0.73) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL19651150 1.00 ALDH1A1 (0.73) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL15908474 1.00 ALDH1A1 (0.73) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL16272971 1.00 ALDH1A1 (0.73) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL15908472 1.00 ALDH1A1 (0.73) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL10734659 1.00 ALDH1A1 (0.73) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL10734656 1.00 ALDH1A1 (0.73) ALDH1A1F7F3CYP19A1PPARG
SCHEMBL15908484 0.98 ALDH1A1 (0.70) ALDH1A1F7F3CYP19A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323992-A1 GEMCITABINE PRODRUGS CURE BIOPHARMA INC. 2021-10-21 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-20210323992-A1 GEMCITABINE PRODRUGS TYMP, PIK3CA, DCK ALDH1A1 2877/4885F7 4597/4885F3 4659/4885

“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.