SCHEMBL24974017

SCHEMBL24974017

CC(C)COc1ccc([C@H](C)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ACACB O00763 5/20 0.46
HPGD P15428 3/20 0.45
POLB P06746 2/20 0.45
XBP1 P17861 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GPR88 Q9GZN0 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NR1H4 Q96RI1 2/20 0.39

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
SCHEMBL24974023 1.00 MAPT (0.46) MAPTACACBHPGDPOLBXBP1
SCHEMBL123415 0.84 MAPT (0.55) MAPTACACBHPGDPOLBXBP1
SCHEMBL9906017 0.83 KMT2A (0.50) MAPTACACBHPGDPOLBXBP1
SCHEMBL19121622 0.81 NQO1 (0.61) MAPTACACBHPGDLMNATSHR
SCHEMBL14831640 0.79 MAPT (0.46) MAPTACACBHPGDPOLBXBP1
SCHEMBL18888181 0.79 ACACB (0.46) MAPTACACBHPGDPOLBXBP1
SCHEMBL20969625 0.79 MAPT (0.46) MAPTACACBHPGDPOLBXBP1
SCHEMBL8047267 0.79 ACACB (0.50) MAPTACACBHPGDPOLBXBP1
SCHEMBL20851318 0.78 MAPT (0.58) MAPTHPGDPOLBXBP1KDM4E
SCHEMBL19487039 0.78 FFAR1 (0.36) ACACBALDH1A1TSHRMEN1KMT2A

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-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP MAPT 3935/4885ACACB 3209/4885HPGD 34/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP MAPT 3935/4885ACACB 3209/4885HPGD 34/4885

“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.