SCHEMBL17027111

SCHEMBL17027111

CC1(C)CNc2ccc(C(C)(C)C)cc2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.35
▸ TDP1 Q9NUW8 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KMT2A Q03164 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ APAF1 O14727 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HRH3 Q9Y5N1 2/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ ADRA1D P25100 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HTR1B P28222 1/20 0.31

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
SCHEMBL17026918 0.85 TDP2 (0.39) KIF11ALDH1A1KMT2AMEN1GAA
SCHEMBL19154879 0.79 KIF11 (0.37) KIF11TDP1HPGDALDH1A1ALOX15
SCHEMBL1396641 0.77 BRD4 (0.44) TDP1KMT2AMEN1GAAMAPT
SCHEMBL7414360 0.77 HTR5A (0.41) TDP1HPGDKMT2AMEN1GAA
SCHEMBL7414456 0.76 AHR (0.43) HPGDKMT2AMEN1GAAMAPT
Hydrochloric Acid SCHEMBL7420730 0.75 MAP2K2 (0.38) TDP1HPGDKMT2AMEN1GAA
SCHEMBL17027185 0.73 HPGD (0.48) KIF11TDP1HPGDALDH1A1ALOX15
SCHEMBL20870462 0.73 HPGD (0.40) KIF11TDP1HPGDALDH1A1HSD17B10
SCHEMBL16473035 0.73 KIF11 (0.39) KIF11
SCHEMBL12680725 0.72 AR (0.38) KIF11TDP1HPGDALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 — — US disclosed
EP-3107910-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2016-12-28 — — EP disclosed
WO-2015124868-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2015-08-27 — — WO 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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 KIF11 3869/4885TDP1 1724/4885HPGD 1809/4885

“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.

Send feedback