SCHEMBL23950505

SCHEMBL23950505

CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
PPARG P37231 4/20 0.64
KDM4E B2RXH2 4/20 0.64
PPARD Q03181 3/20 0.64
PPARA Q07869 3/20 0.64
LMNA P02545 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP19A1 P11511 2/20 0.64
FABP4 P15090 2/20 0.64
HPGD P15428 2/20 0.64
ALOX15 P16050 2/20 0.64
NR4A2 P43354 2/20 0.64
HSD17B10 Q99714 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
AKR1C3 P42330 2/20 0.64
MEN1 O00255 1/20 0.64
USP2 O75604 1/20 0.64
TP53 P04637 1/20 0.64
MAPT P10636 1/20 0.64
HSPD1 P10809 1/20 0.64

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
SCHEMBL11892066 0.97 ALDH1A1 (0.67) ALDH1A1PPARGKDM4EPPARDPPARA
SCHEMBL25834788 0.97 ALDH1A1 (0.67) ALDH1A1PPARGKDM4EPPARDPPARA
SCHEMBL21448748 0.97 ALDH1A1 (0.67) ALDH1A1PPARGKDM4EPPARDPPARA
SCHEMBL24005588 0.97 PPARG (0.64) ALDH1A1PPARGKDM4EPPARDPPARA
SCHEMBL20074366 0.97 ALDH1A1 (0.67) ALDH1A1PPARGKDM4EPPARDPPARA
SCHEMBL23950453 0.97 ALDH1A1 (0.67) ALDH1A1PPARGKDM4EPPARDPPARA
SCHEMBL21147476 0.95 PPARG (0.66) ALDH1A1PPARGKDM4EPPARDPPARA
SCHEMBL17244735 0.93 TOP1 (0.58) ALDH1A1PPARGKDM4EPPARDPPARA
SCHEMBL23950153 0.91 TERT (0.63) PPARGPPARDPPARALMNACYP3A4
SCHEMBL23950440 0.91 TERT (0.63) PPARGPPARDPPARALMNACYP3A4

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 2877/4885PPARG 869/4885KDM4E 2472/4885

“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.