SCHEMBL20100124

SCHEMBL20100124

CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3nc(-c4cc(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(C(C)(C)C)cc5)c4)nc(-c4cc(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(C(C)(C)C)cc5)c4)n3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
KIF11 P52732 3/20 0.54
XDH P47989 1/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 1/20 0.44
DHODH Q02127 1/20 0.44
ALDH1A1 P00352 2/20 0.42
TP53 P04637 3/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MITF O75030 1/20 0.42
KMT2A Q03164 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
SCHEMBL20100122 0.98 NPC1 (0.60) NPC1RAB9AKIF11XDHMAPT
SCHEMBL19901704 0.98 NPC1 (0.60) NPC1RAB9AKIF11XDHMAPT
SCHEMBL27375500 0.96 NPC1 (0.62) NPC1RAB9AKIF11XDHMAPT
SCHEMBL15281174 0.91 TSHR (0.54) NPC1RAB9AKIF11XDHMAPT
SCHEMBL16769401 0.91 TSHR (0.54) NPC1RAB9AKIF11XDHMAPT
SCHEMBL19400301 0.89 NPC1 (0.51) NPC1RAB9AKIF11XDHMAPT
SCHEMBL4125159 0.89 NPC1 (0.69) NPC1RAB9AKIF11XDHMAPT
SCHEMBL13871684 0.89 NPC1 (0.69) NPC1RAB9AKIF11XDHMAPT
SCHEMBL16769408 0.88 NPC1 (0.46) NPC1RAB9AKIF11XDHMAPT
SCHEMBL16921346 0.88 NPC1 (0.46) NPC1RAB9AKIF11XDHMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180123056-A1 LIGHT EMITTING DEVICE AND COMPOSITION USED FOR THIS LIGHT EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-03 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-20180123056-A1 LIGHT EMITTING DEVICE AND COMPOSITION USED FOR THIS LIGHT EMITTING DEVICE CHRM1, CRY1, L1CAM NPC1 3836/4885RAB9A 2799/4885KIF11 1548/4885

“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.