SCHEMBL21576147

SCHEMBL21576147

CCCCCCCC(CCCCCCC)N1CC(OC)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.34
ZDHHC7 Q9NXF8 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
LMNA P02545 1/20 0.33
PLA2G1B P04054 1/20 0.32
PLA2G2A P14555 1/20 0.32
DNM1 Q05193 1/20 0.32
EBP Q15125 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
SMPD1 P17405 1/20 0.32

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
SCHEMBL25748484 1.00 FDPS (0.34) FDPSZDHHC7SPHK1LMNAPLA2G1B
SCHEMBL20781684 0.86 SPHK1 (0.31) FDPSZDHHC7SPHK1
SCHEMBL20782010 0.86 SPHK1 (0.31) FDPSZDHHC7SPHK1
SCHEMBL25921846 0.85 ALDH1A1 (0.33)
SCHEMBL18612411 0.85 FDPS (0.34) FDPSZDHHC7SPHK1LMNADNM1
SCHEMBL26676297 0.84 SPHK1 (0.32) FDPSZDHHC7SPHK1
SCHEMBL24172165 0.84
SCHEMBL26044262 0.83 NAAA (0.34)
SCHEMBL23219812 0.83 NAAA (0.34)
SCHEMBL25949142 0.83 OPRM1 (0.34) FDPSLMNAPLA2G1BPLA2G2ADNM1

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-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2022-06-07 US disclosed
US-10703733-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2020-07-07 US disclosed
US-20190352271-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-21 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 (3 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-20190352271-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 FDPS 3576/4885ZDHHC7 2110/4885SPHK1 758/4885
US-10703733-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 FDPS 3576/4885ZDHHC7 2110/4885SPHK1 758/4885
US-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CB FDPS 1624/4885ZDHHC7 4167/4885SPHK1 877/4885

“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.