SCHEMBL14929532

SCHEMBL14929532

CC(C)(C)n1c(-c2ccccc2)cc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
BACE1 P56817 4/20 0.39
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 1/20 0.39
APP P05067 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
ACLY P53396 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL11685920 0.86 KMT2A (0.56) KMT2AL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL29188490 0.83 KMT2A (0.56) KMT2AL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL11687690 0.80 KMT2A (0.50) KMT2AL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL17549549 0.78 KMT2A (0.40) KMT2AL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL11837914 0.77 L3MBTL1 (0.58) KMT2AL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL11688825 0.77 ALDH1A1 (0.51) KMT2AL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL18014720 0.75 ALDH1A1 (0.60) KMT2AL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL11433591 0.75 ALDH1A1 (0.60) KMT2AL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL7756916 0.75 KDM4E (0.42) KMT2AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL214075 0.75 KMT2A (1.00) KMT2AL3MBTL1ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113683551-B N-tert-butyl-2-phenylindole derivative, preparation method and application 常州大学 2023-09-26 CN claimed
CN-113683551-A N-tert-butyl-2-phenylindole derivative, preparation method and application 常州大学 2021-11-23 CN claimed
CN-113683551-B N-tert-butyl-2-phenylindole derivative, preparation method and application 常州大学 2023-09-26 CN disclosed
CN-113683551-B N-tert-butyl-2-phenylindole derivative, preparation method and application 常州大学 2023-09-26 CN disclosed
CN-113683551-B N-tert-butyl-2-phenylindole derivative, preparation method and application 常州大学 2023-09-26 CN disclosed
CN-113683551-A N-tert-butyl-2-phenylindole derivative, preparation method and application 常州大学 2021-11-23 CN disclosed
CN-113683551-A N-tert-butyl-2-phenylindole derivative, preparation method and application 常州大学 2021-11-23 CN disclosed
CN-113683551-A N-tert-butyl-2-phenylindole derivative, preparation method and application 常州大学 2021-11-23 CN disclosed
US-9409938-B2 Tungsten oxo alkylidene complexes for Zselective olefin metathesis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-08-09 US disclosed
US-20160009746-A1 TUNGSTEN OXO ALKYLIDENE COMPLEXES FOR Z SELECTIVE OLEFIN METATHESIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2016-01-14 US disclosed
US-9085595-B2 Tungsten oxo alkylidene complexes for Z selective olefin metathesis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-07-21 US disclosed
WO-2013159229-A1 SILANYLOXYARYL PHOSPHINE LIGAND AND USES THEREOF IN C-N CROSS-COUPLING DALHOUSIE UNIVERSITY (CA) 2013-10-31 WO disclosed
WO-2013159229-A1 SILANYLOXYARYL PHOSPHINE LIGAND AND USES THEREOF IN C-N CROSS-COUPLING DALHOUSIE UNIVERSITY (CA) 2013-10-31 WO disclosed
US-20130116434-A1 TUNGSTEN OXO ALKYLIDENE COMPLEXES FOR Z SELECTIVE OLEFIN METATHESIS TRUSTEES OF BOSTON COLLEGE (US) 2013-05-09 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-20130116434-A1 TUNGSTEN OXO ALKYLIDENE COMPLEXES FOR Z SELECTIVE OLEFIN METATHESIS SOD1, ZRANB2, ZCCHC8 KMT2A 2188/4885L3MBTL1 544/4885ALDH1A1 2922/4885
US-20160009746-A1 TUNGSTEN OXO ALKYLIDENE COMPLEXES FOR Z SELECTIVE OLEFIN METATHESIS SOD1, ZRANB2, ZCCHC8 KMT2A 2188/4885L3MBTL1 544/4885ALDH1A1 2922/4885

“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.