SCHEMBL20049880

SCHEMBL20049880

CCCCCCC(C)(CCCCCC)c1nc[nH]n1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
S1PR5 Q9H228 2/20 0.32
NR1H4 Q96RI1 3/20 0.32
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CNR2 P34972 2/20 0.30
LTB4R Q15722 2/20 0.30
LTB4R2 Q9NPC1 2/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL20066478 0.97 S1PR4 (0.31) S1PR4S1PR1S1PR3S1PR5NR1H4
SCHEMBL18760500 0.74 TLR8 (0.36) CNR2
SCHEMBL18557087 0.74 TLR8 (0.36) CNR2
SCHEMBL24414188 0.74 TLR8 (0.36) CNR2
SCHEMBL18612488 0.74 TLR8 (0.36) CNR2
SCHEMBL18793072 0.73 TLR8 (0.36) CNR2
SCHEMBL18852694 0.73 TLR8 (0.36) CNR2
SCHEMBL20047833 0.72 TLR8 (0.35) CNR2
SCHEMBL26800697 0.71 CNR2 (0.32) CNR2
SCHEMBL26023617 0.71 CNR2 (0.32) CNR2

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-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 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-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A S1PR4 2318/4885S1PR1 2103/4885S1PR3 970/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD S1PR4 2026/4885S1PR1 1707/4885S1PR3 1081/4885

“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.