SCHEMBL835092

SCHEMBL835092

CCCCc1cc2nc(-c3ccc(-c4ccc(-c5ccc(-c6ccccn6)nc5-c5ccc(-c6ccc(-c7nc8cc(CCCC)c(CCCC)cc8o7)cc6)cc5)cc4)cc3)oc2cc1CCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
HSD17B10 Q99714 6/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 5/20 0.39
TP53 P04637 4/20 0.39
ALDH1A1 P00352 4/20 0.39
PKM P14618 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
GPR119 Q8TDV5 4/20 0.35
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CETP P11597 1/20 0.33
CHRNB4 P30926 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
SCHEMBL835090 0.94 HSD17B10 (0.41) ESR1ESR2HSD17B10NPC1RAB9A
SCHEMBL835089 0.90 NPC1 (0.42) ESR1ESR2HSD17B10NPC1RAB9A
SCHEMBL834745 0.86 RAB9A (0.40) ESR1ESR2HSD17B10NPC1RAB9A
SCHEMBL834732 0.83 NPC1 (0.47) HSD17B10NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL834735 0.83 HSD17B10 (0.39) HSD17B10NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL834207 0.83 SMN1; SMN2 (0.43) ESR1ESR2HSD17B10NPC1RAB9A
SCHEMBL834153 0.83 SMN1; SMN2 (0.43) ESR1ESR2HSD17B10NPC1RAB9A
SCHEMBL835216 0.82 RAB9A (0.42) ESR1ESR2HSD17B10NPC1RAB9A
SCHEMBL835217 0.82 ESR1 (0.39) ESR1ESR2HSD17B10NPC1RAB9A
SCHEMBL834746 0.81 RAB9A (0.43) ESR1ESR2HSD17B10NPC1RAB9A

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-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-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-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 ESR1 180/4885ESR2 631/4885HSD17B10 1425/4885
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative XDH, CYP2C9, CYP4X1 ESR1 189/4885ESR2 707/4885HSD17B10 1670/4885

“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.