SCHEMBL488467

SCHEMBL488467

CC1(C)OC(c2ccc(O)cc2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 13/20 0.42
ESR1 P03372 8/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
APAF1 O14727 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
CA12 O43570 1/20 0.36
GMNN O75496 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
CA3 P07451 1/20 0.36
CYP3A4 P08684 1/20 0.36
TYR P14679 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL17863581 0.88 MAPK1 (0.37) MEN1NPC1RAB9AKMT2AMAPK1
SCHEMBL9946119 0.79 ACHE (0.38) MAPTALDH1A1KDM4EMEN1LMNA
SCHEMBL15510829 0.77 VHL (0.35) CA12CA1CA2CA4CA5A
SCHEMBL9946121 0.76 MEN1 (0.46) ALDH1A1POLBMEN1CA2LMNA
SCHEMBL9946140 0.75 SMN1; SMN2 (0.41) MAPTALDH1A1HSD17B10MEN1NPC1
SCHEMBL488607 0.75 TSHR (0.46) MAPTALDH1A1POLBKDM4EMEN1
SCHEMBL28553514 0.75 CA12 (0.41) ALDH1A1HSD17B10CA12CA2LMNA
SCHEMBL16581925 0.74 CA1 (0.46) MAPTALDH1A1NPC1CA12CA1
SCHEMBL9946134 0.74 ESR1 (0.46) ESR2ESR1MAPTALDH1A1HSD17B10
SCHEMBL21816954 0.74 MAPK1 (0.41) ALDH1A1NPC1LMNARAB9AKMT2A

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-107922432-B Novel hydroxy acid derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-05-04 CN disclosed
EP-1603570-B9 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN INC (US) 2013-10-23 EP disclosed
CN-103265477-A Aminoheteroaryl compounds as protein kinase inhibitors SUGEN INC 2013-08-28 CN disclosed
WO-2013055990-A1 PYRROLOBENZODIAZEPINES AND TARGETED CONJUGATES SEATTLE GENETICS, INC. (US) 2013-04-18 WO disclosed
EP-1603570-B1 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN INC (US) 2013-01-23 EP disclosed
EP-2476667-A2 Aminoheteroaryl compounds as protein kinase inhibitors Sugen, Inc. (US) 2012-07-18 EP disclosed
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US disclosed
US-7230098-B2 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. (US) 2007-06-12 US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 US disclosed
CN-1777427-A Aminoheteroaryl compounds as protein kinase inhibitors SUGEN INC (US) 2006-05-24 CN disclosed
EP-1603570-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2005-12-14 EP disclosed
US-20050009840-A1 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. 2005-01-13 US disclosed
WO-2004076412-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2004-09-10 WO disclosed
WO-2004012656-A2 THIOPHENE AND FURAN DERIVATIVES AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-02-12 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 (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-20050009840-A1 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer MET, ERBB2, CDK4 ESR2 880/4885ESR1 1135/4885MAPT 2514/4885
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 ESR2 830/4885ESR1 2257/4885MAPT 2035/4885

“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.