SCHEMBL25820324

SCHEMBL25820324

CC(C)OC(=O)Nc1cccc(C(C)C)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.68
ALOX15 P16050 1/20 0.68
FADS1 O60427 1/20 0.57
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
NPC1 O15118 2/20 0.51
CYP2D6 P10635 1/20 0.51
CA2 P00918 1/20 0.51
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
GRIN2D O15399 1/20 0.49

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
SCHEMBL2091354 0.87 FADS1 (0.56) HPGDALOX15FADS1MEN1KMT2A
SCHEMBL14986223 0.85 HPGD (0.61) HPGDALOX15FADS1KDM4EMEN1
SCHEMBL2091351 0.84 FADS1 (0.54) HPGDALOX15FADS1KDM4EMEN1
SCHEMBL12067305 0.83 HPGD (0.58) HPGDALOX15FADS1KDM4EMEN1
SCHEMBL14983611 0.83 HPGD (0.58) HPGDALOX15FADS1KDM4EMEN1
SCHEMBL10192111 0.82 ALOX15 (0.69) HPGDALOX15KDM4EMEN1KMT2A
SCHEMBL10749929 0.82 HPGD (0.69) HPGDALOX15KDM4EMEN1KMT2A
SCHEMBL31331879 0.82 HPGD (0.69) HPGDALOX15KDM4EMEN1KMT2A
SCHEMBL12743181 0.81 FADS1 (0.51) HPGDALOX15FADS1MEN1KMT2A
SCHEMBL21349101 0.81 MAPK1 (0.62) HPGDALOX15FADS1SMN1; SMN2RAB9A

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-9133225-B2 Dual targeting anticancer agents MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-09-15 US disclosed
US-20140274988-A1 DUAL TARGETING ANTICANCER AGENTS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-09-18 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA HPGD 2768/4885ALOX15 3097/4885FADS1 2478/4885
US-20140274988-A1 DUAL TARGETING ANTICANCER AGENTS CCNE1, CCNE2, VHL HPGD 304/4885ALOX15 1230/4885FADS1 3355/4885

“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.