SCHEMBL14930210

SCHEMBL14930210

COc1ccc(C(=O)CCCC(=O)O)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.62
HTT P42858 2/20 0.61
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
PKM P14618 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 1/20 0.57
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
USP2 O75604 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
MAPT P10636 1/20 0.51
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL8475479 0.92 HTT (0.72) PDE4BHTTRAB9ANPC1PKM
SCHEMBL10788695 0.88 SMN1; SMN2 (0.61) HTTRAB9ANPC1PKMSMN1; SMN2
SCHEMBL15076021 0.88 THRA (0.61) HTTRAB9ANPC1PKMSMN1; SMN2
SCHEMBL7823697 0.88 PDE4B (0.62) PDE4BHTTMEN1KMT2AMAPT
SCHEMBL21480338 0.86 RAB9A (0.59) HTTRAB9ANPC1PKMSMN1; SMN2
SCHEMBL6297419 0.86 RAB9A (0.59) HTTRAB9ANPC1PKMSMN1; SMN2
SCHEMBL7261534 0.86 PDE4B (0.60) PDE4BHTTMEN1KMT2AMAPT
SCHEMBL14925385 0.86 TSHR (0.54) PDE4BHTTRAB9ANPC1PKM
SCHEMBL8571284 0.85 RAB9A (0.58) HTTRAB9ANPC1PKMSMN1; SMN2
SCHEMBL8564842 0.84 RAB9A (0.63) HTTRAB9ANPC1PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11337956-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2022-05-24 US disclosed
EP-3799870-A1 IRE-1A INHIBITORS Fosun Orinove Pharmatech, Inc. (CN) 2021-04-07 EP disclosed
US-20190314330-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-10-17 US disclosed
US-10357475-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-07-23 US disclosed
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 (6 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 PDE4B 2573/4885HTT 2370/4885RAB9A 1146/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 PDE4B 2573/4885HTT 2370/4885RAB9A 1146/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 PDE4B 2738/4885HTT 1890/4885RAB9A 1149/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 PDE4B 2573/4885HTT 2370/4885RAB9A 1146/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 PDE4B 2738/4885HTT 1890/4885RAB9A 1149/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 PDE4B 2466/4885HTT 2123/4885RAB9A 1093/4885

“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.