SCHEMBL16021772

SCHEMBL16021772

OBOc1ccc(N2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPT P10636 8/20 0.47
▸ HTT P42858 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ AKR1C3 P42330 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ GSK3B P49841 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LGMN Q99538 1/20 0.42

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
SCHEMBL17279025 0.85 KCNH2 (0.45) ALDH1A1KDM4EALOX15HSD17B10HPGD
SCHEMBL1825155 0.85 MAPT (0.50) ALDH1A1KDM4EALOX15HSD17B10HPGD
SCHEMBL27522073 0.83 KCNH2 (0.47) ALDH1A1KDM4EALOX15HSD17B10HPGD
SCHEMBL14132559 0.80 GAA (0.52) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL17279022 0.80 MAPT (0.45) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL29370001 0.80 ADRB1 (0.61) ALDH1A1KDM4EHSD17B10LMNAUSP2
SCHEMBL9093746 0.77 LMNA (0.71) ALDH1A1KDM4EALOX15HSD17B10HPGD
SCHEMBL18704510 0.75 PHGDH (0.59) ALDH1A1KDM4EHPGDMAPTHTT
SCHEMBL2208450 0.75 AKR1C3 (0.68) ALDH1A1KDM4EALOX15HSD17B10MAPT
SCHEMBL19615164 0.75 LMNA (0.52) ALDH1A1KDM4EALOX15HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9644148-B2 Liquid Crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-09 — — US disclosed
US-20160083398-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2016-03-24 — — US disclosed
US-9227986-B2 Diarylethene compounds and uses thereof SWITCH MATERIALS, INC. (CA) 2016-01-05 — — US disclosed
US-20150337203-A1 COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-26 — — US disclosed
US-20140256936-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2014-09-11 — — 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-20150337203-A1 COMPOSITION CRY1, CRY2, C5 ALDH1A1 3469/4885KDM4E 3315/4885ALOX15 2840/4885
US-20140256936-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B ALDH1A1 1014/4885KDM4E 1996/4885ALOX15 3855/4885
US-20160083398-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B ALDH1A1 1014/4885KDM4E 1996/4885ALOX15 3855/4885

“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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