SCHEMBL9603986

SCHEMBL9603986

CCCc1ccc2oc3c(-c4ccc(-c5nc6ccccc6o5)cc4)cc(CCC)cc3c2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN5 P54829 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
BCHE P06276 1/20 0.41

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
SCHEMBL9603991 0.94 NPC1 (0.46) NPC1KDM4EALDH1A1TP53HPGD
SCHEMBL9603988 0.89 NPC1 (0.52) NPC1KDM4EALDH1A1TP53HPGD
SCHEMBL15290726 0.87 NPC1 (0.40) NPC1KDM4EALDH1A1TP53HPGD
SCHEMBL9603989 0.84 NPC1 (0.47) NPC1KDM4EALDH1A1TP53HPGD
SCHEMBL8281393 0.84 HPGD (0.41) NPC1KDM4EALDH1A1TP53HPGD
SCHEMBL15290723 0.82 NPC1 (0.39) NPC1KDM4EALDH1A1TP53HPGD
SCHEMBL9603908 0.81 NPC1 (0.46) NPC1KDM4EALDH1A1TP53HPGD
SCHEMBL4549377 0.80 CYP1A2 (0.38) NPC1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28868163 0.80 NPC1 (0.68) NPC1KDM4EALDH1A1TP53HPGD
SCHEMBL9603980 0.79 NPC1 (0.58) NPC1KDM4EALDH1A1TP53HPGD

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-8546584-B2 Benzoxazole derivative, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-01 US disclosed
US-20120132896-A1 Benzoxazole Derivative, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD 2012-05-31 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-20120132896-A1 Benzoxazole Derivative, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device XDH, AOX1, CYP4X1 NPC1 4611/4885KDM4E 2142/4885ALDH1A1 112/4885

“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.