SCHEMBL18935523

SCHEMBL18935523

CCCCCCC(CCCCCC)C(C)CO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
CYP2D6 P10635 2/20 0.47
SPHK1 Q9NYA1 2/20 0.47
GMNN O75496 1/20 0.47
POLB P06746 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47
BLM P54132 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
CETP P11597 1/20 0.47
HTT P42858 1/20 0.47
UBE2N P61088 1/20 0.47
OPRM1 P35372 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL18922373 1.00 LMNA (0.56) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL18525268 1.00 LMNA (0.56) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL19245744 1.00 LMNA (0.56) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL19174190 1.00 LMNA (0.56) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL27723199 0.93 LMNA (0.54) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL27729667 0.93 LMNA (0.54) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL27938971 0.91 LMNA (0.52) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL21879679 0.91 LMNA (0.50) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL1794261 0.85 LMNA (0.42) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL29020574 0.84 LMNA (0.54) LMNACYP2D6SPHK1GMNNPOLB

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-9707233-B2 Heterocyclylamines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-07-18 US disclosed
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2017-06-08 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-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB LMNA 3738/4885CYP2D6 3431/4885SPHK1 597/4885

“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.