SCHEMBL14925328

SCHEMBL14925328

CCOC(=O)CCC(=O)c1cc(C)c(O)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
HPGD P15428 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
RECQL P46063 1/20 0.50
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SHBG P04278 1/20 0.39
HMGCR P04035 2/20 0.39
STING1 Q86WV6 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38

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
SCHEMBL14925353 0.92 HSD17B10 (0.49) TSHRHPGDTDP1ALDH1A1ALOX15
SCHEMBL30406452 0.83 HMGCR (0.54) TSHRHPGDTDP1ALDH1A1ALOX15
SCHEMBL2552967 0.83 HMGCR (0.54) TSHRHPGDTDP1ALDH1A1ALOX15
SCHEMBL14925419 0.79 CA12 (0.64) TSHRHPGDALDH1A1HSD17B10CA12
SCHEMBL25372530 0.77 HPGD (0.49) TSHRHPGDALDH1A1ALOX15CA12
SCHEMBL11581595 0.77 MEN1 (0.50) TSHRHPGDTDP1ALDH1A1ALOX15
SCHEMBL2935115 0.77 KMT2A (0.53) TSHRHPGDTDP1ALOX15HSD17B10
SCHEMBL28836023 0.77 HTT (0.61) TSHRHPGDTDP1ALDH1A1ALOX15
SCHEMBL1375365 0.76 CA12 (0.51) HPGDTDP1ALDH1A1HSD17B10CA12
SCHEMBL20554715 0.76 ALDH1A1 (0.52) TSHRHPGDTDP1ALDH1A1ALOX15

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 TSHR 3388/4885HPGD 649/4885TDP1 248/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 TSHR 3388/4885HPGD 649/4885TDP1 248/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 TSHR 3240/4885HPGD 706/4885TDP1 176/4885

“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.