SCHEMBL21817675

SCHEMBL21817675

COC(=O)c1cc(CO)cc(-c2ccccc2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
FFAR1 O14842 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
EGFR P00533 1/20 0.42
SLC2A1 P11166 1/20 0.41
TSHR P16473 1/20 0.41
SMYD2 Q9NRG4 1/20 0.41
PDK2 Q15119 1/20 0.41
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC7A5 Q01650 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
NR4A2 P43354 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2409006 0.85 CYP4F2 (0.43) CYP4F2CYP4A11LOXL2LMNAHPGD
SCHEMBL21817450 0.84 NR1H4 (0.48) PPARAPPARGFFAR1NR1H4
SCHEMBL7824090 0.82 EGFR (0.52) CYP4F2CYP4A11LOXL2LMNAHPGD
SCHEMBL21818278 0.82 PPARG (0.46) CYP4F2CYP4A11PPARAPPARGFFAR1
SCHEMBL21711900 0.82 WDR5 (0.47) SLC2A1
SCHEMBL21819238 0.82 MKNK1 (0.49) CYP4F2CYP4A11LOXL2LMNAHPGD
SCHEMBL3477961 0.82 ESR2 (0.42) CYP4F2CYP4A11LOXL2FFAR1LMNA
SCHEMBL24526706 0.80 SLC6A4 (0.47) PPARALMNAEGFRSLC2A1TSHR
SCHEMBL3312749 0.79 EGFR (0.58) EGFRSLC2A1TSHRTDP1L3MBTL1
SCHEMBL7830361 0.78 NR1H4 (0.57) LOXL2FFAR1TSHRSMYD2PDK2

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-10844044-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-11-24 US disclosed
US-20200102288-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-04-02 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-20200102288-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 CYP4F2 3771/4885CYP4A11 4396/4885PPARA 3393/4885
US-10844044-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 CYP4F2 3759/4885CYP4A11 4361/4885PPARA 3429/4885

“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.