SCHEMBL9603989

SCHEMBL9603989

CC(C)Cc1ccc2oc3c(-c4ccc(-c5nc6ccccc6o5)cc4)cc(CC(C)C)cc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
BCHE P06276 1/20 0.40
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL9603988 0.86 NPC1 (0.52) NPC1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL9603986 0.84 NPC1 (0.48) NPC1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL8281397 0.84 HPGD (0.41) NPC1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL9603991 0.82 NPC1 (0.46) NPC1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL9603911 0.82 NPC1 (0.46) NPC1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL4549390 0.81 IKBKE (0.34) NPC1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL9603987 0.80 NPC1 (0.53) NPC1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL9603990 0.78 KDM4E (0.43) NPC1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL9603980 0.78 NPC1 (0.58) NPC1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL13621082 0.78 ALDH1A1 (0.50) NPC1KDM4EHPGDSMN1; SMN2ALDH1A1

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 4 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-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
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 2142/4885HPGD 840/4885

“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.