SCHEMBL834735

SCHEMBL834735

CCC(C)c1cc2nc(-c3ccc(-c4ccc(-c5ccc(-c6ccccn6)nc5-c5ccc(-c6ccc(-c7nc8cc(C(C)CC)c(C(C)CC)cc8o7)cc6)cc5)cc4)cc3)oc2cc1C(C)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 10/20 0.39
KDM4E B2RXH2 9/20 0.39
RAB9A P51151 8/20 0.39
SMN1; SMN2 Q16637 8/20 0.39
TP53 P04637 8/20 0.39
ALDH1A1 P00352 8/20 0.39
HPGD P15428 8/20 0.39
NPC1 O15118 7/20 0.39
PKM P14618 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
S1PR1 P21453 1/20 0.33
MAPT P10636 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32

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
SCHEMBL835216 0.90 RAB9A (0.42) HSD17B10KDM4ERAB9ASMN1; SMN2TP53
SCHEMBL835090 0.85 HSD17B10 (0.41) HSD17B10KDM4ERAB9ASMN1; SMN2TP53
SCHEMBL835089 0.84 NPC1 (0.42) HSD17B10KDM4ERAB9ASMN1; SMN2TP53
SCHEMBL834745 0.84 RAB9A (0.40) HSD17B10KDM4ERAB9ASMN1; SMN2TP53
SCHEMBL834732 0.83 NPC1 (0.47) HSD17B10KDM4ERAB9ASMN1; SMN2TP53
SCHEMBL835092 0.83 ESR1 (0.40) HSD17B10KDM4ERAB9ASMN1; SMN2TP53
SCHEMBL834207 0.83 SMN1; SMN2 (0.43) HSD17B10KDM4ERAB9ASMN1; SMN2TP53
SCHEMBL834153 0.83 SMN1; SMN2 (0.43) HSD17B10KDM4ERAB9ASMN1; SMN2TP53
SCHEMBL834201 0.82 TP53 (0.32) HSD17B10KDM4ERAB9ASMN1; SMN2TP53
SCHEMBL834746 0.81 RAB9A (0.43) HSD17B10KDM4ERAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9209408-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-12-08 US disclosed
US-9209408-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-12-08 US disclosed
US-20130261304-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-03 US disclosed
US-20130261304-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-03 US disclosed
US-8450485-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-28 US disclosed
US-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-07-12 US disclosed
US-8142911-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-27 US disclosed
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-11-19 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-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative XDH, CYP2C9, CYP4X1 HSD17B10 1425/4885KDM4E 2282/4885RAB9A 3557/4885
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative XDH, CYP2C9, CYP4X1 HSD17B10 1670/4885KDM4E 2122/4885RAB9A 3455/4885

“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.