SCHEMBL13550472

SCHEMBL13550472

Cn1c2ccccc2c2cc(-c3ccc(-c4nnc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7C)cc5)o4)cc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.50
▸ NPC1 O15118 7/20 0.50
▸ RAB9A P51151 7/20 0.50
▸ KDM4E B2RXH2 6/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ SMN1; SMN2 Q16637 6/20 0.50
▸ CYP1A2 P05177 4/20 0.50
▸ CYP3A4 P08684 4/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ GPR3 P46089 1/20 0.48
▸ HSD17B10 Q99714 5/20 0.46
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MGAM O43451 4/20 0.46
▸ GAA P10253 4/20 0.46
▸ SI P14410 4/20 0.46
▸ MGAM2 Q2M2H8 4/20 0.46

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
SCHEMBL12680689 0.97 NPC1 (0.55) HPGDNPC1RAB9AKDM4EALDH1A1
SCHEMBL13127201 0.92 NPC1 (0.52) HPGDNPC1RAB9AKDM4EALDH1A1
SCHEMBL17125522 0.91 ALDH1A1 (0.49) HPGDNPC1RAB9AKDM4EALDH1A1
SCHEMBL9885489 0.90 HPGD (0.45) HPGDNPC1RAB9AKDM4EALDH1A1
SCHEMBL17125535 0.88 CYP19A1 (0.49) HPGDNPC1RAB9AKDM4EALDH1A1
SCHEMBL14146093 0.86 TSPO (0.47) HPGDNPC1RAB9AKDM4EALDH1A1
SCHEMBL19102096 0.86 CNR2 (0.48) —
SCHEMBL17809439 0.85 GPR3 (0.67) HPGDNPC1RAB9AKDM4EALDH1A1
SCHEMBL13766300 0.85 S1PR1 (0.44) HPGDNPC1RAB9AKDM4EALDH1A1
SCHEMBL17125538 0.84 NPY5R (0.53) HPGDKDM4EALDH1A1SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10240084-B2 Non-crystallizable pi-conjugated molecular glass mixtures, charge transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof for organic light emitting diodes and other organic electronics and photonics applications MOLECULAR GLASSES, INC. (US) 2019-03-26 — — US disclosed
US-9617468-B2 Luminescent composition and light-emitting element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-11 — — US disclosed
US-20150275076-A1 Non-crystallizable Pi-conjugated Molecular Glass Mixtures, Charge Transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications Molaire Consulting 2015-10-01 — — US disclosed
US-20150275076-A1 Non-crystallizable Pi-conjugated Molecular Glass Mixtures, Charge Transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications Molaire Consulting 2015-10-01 — — US disclosed
US-20130001534-A1 LUMINESCENT COMPOSITION AND LIGHT-EMITTING ELEMENT USING SAID COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-03 — — US disclosed
US-20100019669-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE CONTAINING THOSE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-28 — — 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-20100019669-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE CONTAINING THOSE AP1M1, MRPL21, C1R HPGD 3743/4885NPC1 3540/4885RAB9A 848/4885

“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.

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