SCHEMBL17280103

SCHEMBL17280103

CC(C)Oc1ccc(-c2nc(-c3cccc(-c4n[nH]c(-c5ccc(OC(C)C)cc5)n4)c3)n[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 5/20 0.58
▸ NR1H3 Q13133 5/20 0.58
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ATAD2 Q6PL18 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ADORA2A P29274 2/20 0.51
▸ ADORA1 P30542 2/20 0.51
▸ LMNA P02545 1/20 0.47
▸ DGAT1 O75907 1/20 0.47
▸ HPGDS O60760 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ NOTUM Q6P988 1/20 0.43

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
Hydrochloric Acid SCHEMBL6578576 0.81 ADORA2A (0.61) NR1H2NR1H3ALDH1A1ADORA2AADORA1
SCHEMBL17280043 0.81 NPC1 (0.55) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL17280030 0.79 NR1H2 (0.78) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL17280045 0.78 NR1H2 (0.75) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL17280054 0.78 ALOX15 (0.51) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL17280052 0.78 NPC1 (0.56) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL17570207 0.78 NR1H2 (0.81) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL17279684 0.78 NR1H2 (0.67) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL17280114 0.77 NPC1 (0.51) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL15025705 0.75 NR1H2 (0.65) NR1H2NR1H3NPC1RAB9ASMN1; SMN2

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-20180203175-A1 TRIAZOLE COMPOUND Konica Minolta, Inc. (JP) 2018-07-19 — — US disclosed
US-20180203175-A1 TRIAZOLE COMPOUND Konica Minolta, Inc. (JP) 2018-07-19 — — US disclosed
US-10012777-B2 Resin composition Konica Minolta, Inc. (JP) 2018-07-03 — — US disclosed
US-10012777-B2 Resin composition Konica Minolta, Inc. (JP) 2018-07-03 — — US disclosed
US-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE KONICA MINOLTA, INC (JP) 2015-11-26 — — US disclosed
US-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE KONICA MINOLTA, INC (JP) 2015-11-26 — — 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 (3 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-20150338563-A1 RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE HRH3, HELZ, NBAS NR1H2 1059/4885NR1H3 766/4885NPC1 2503/4885
US-10012777-B2 Resin composition NBAS, WDR5, HRH3 NR1H2 1877/4885NR1H3 1458/4885NPC1 2768/4885
US-20180203175-A1 TRIAZOLE COMPOUND H1-10, TTI2, H1-2 NR1H2 534/4885NR1H3 787/4885NPC1 2718/4885

“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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