SCHEMBL426517

SCHEMBL426517

CCOC(=O)c1cc(-c2cccc(C)c2)oc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
HPGD P15428 5/20 0.47
TP53 P04637 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 2/20 0.46
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 3/20 0.45
HSD17B10 Q99714 3/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL3100114 0.87 TSHR (0.54) HPGDTSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL12876531 0.86 ALDH1A1 (0.48) HTTHPGDTP53POLBALDH1A1
SCHEMBL380970 0.85 ALDH1A1 (0.54) HPGDTP53TSHRALDH1A1SMN1; SMN2
SCHEMBL12348719 0.84 TARBP2 (0.52) HPGDTSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL24952179 0.83 MEN1 (0.52) HTTHPGDTP53POLBALDH1A1
SCHEMBL31223779 0.83 MEN1 (0.52) HTTHPGDTP53POLBALDH1A1
SCHEMBL4705049 0.80 ESR1 (0.53) JAK2JAK3HPGDTSHRALDH1A1
SCHEMBL3105153 0.79 NPC1 (0.67) HTTHPGDPOLBALDH1A1SMN1; SMN2
SCHEMBL29858707 0.79 TARBP2 (0.54) HTTHPGDTP53TSHRALDH1A1
SCHEMBL29858410 0.79 NPC1 (0.48) HPGDTSHRALDH1A1SMN1; SMN2MAPT

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-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-8058445-B2 Substituted pyridinecarboxamides for the treatment of cancer AMGEN INC. (US) 2011-11-15 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 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 (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-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO HTT 1813/4885JAK2 1839/4885JAK3 2868/4885

“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.