SCHEMBL14925280

SCHEMBL14925280

CC(=O)N(C)c1ccc(O)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.52
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
RGS12 O14924 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP2D6 P10635 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
CASP1 P29466 1/20 0.44
CYP2C19 P33261 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
SCHEMBL25969084 0.85 GAA (0.47) ALDH1A1MEN1HPGDKMT2AMAPT
SCHEMBL14349387 0.80 FSCN1 (0.49) FSCN1ALDH1A1HPGDMAPTLMNA
SCHEMBL11434258 0.78 APP (0.55) ALDH1A1MEN1HPGDKMT2AMAPT
SCHEMBL14916225 0.77 ALDH1A1 (0.40) ALDH1A1MEN1HPGDKMT2AMAPT
SCHEMBL1161706 0.74 CA12 (0.39) ALDH1A1MEN1HPGDKMT2AMAPT
SCHEMBL5536970 0.74 TSPO (0.55) FSCN1ALDH1A1HPGDMAPTLMNA
SCHEMBL1981807 0.71 SMN1; SMN2 (0.53) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL25969090 0.71 ALDH1A1 (0.53) ALDH1A1MEN1HPGDKMT2AMAPT
SCHEMBL1545185 0.71 PKM (0.49) FSCN1ALDH1A1MEN1HPGDKMT2A
SCHEMBL14349335 0.71 ALOX15 (0.46) FSCN1ALDH1A1MEN1HPGDKMT2A

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-9867803-B2 IRE-1α inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-16 US disclosed
US-20170326104-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-11-16 US disclosed
US-9693992-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-07-04 US disclosed
US-9040714-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2015-05-26 US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (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 (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-20150141424-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 FSCN1 4749/4885ALDH1A1 2024/4885MEN1 3936/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 FSCN1 4749/4885ALDH1A1 2024/4885MEN1 3936/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 FSCN1 4779/4885ALDH1A1 2036/4885MEN1 3674/4885

“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.