SCHEMBL18319243

SCHEMBL18319243

CCCNC(=O)COCCOCCOCC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
EPHX2 P34913 1/20 0.41
MCL1 Q07820 1/20 0.41
TSHR P16473 4/20 0.41
RECQL P46063 1/20 0.41
FAAH O00519 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAMPT P43490 1/20 0.38
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL24838561 0.98 ALDH1A1 (0.45) ALDH1A1EPHX2MCL1TSHRRECQL
SCHEMBL22678184 0.90 MCL1 (0.42) ALDH1A1EPHX2MCL1TSHRRECQL
SCHEMBL25516086 0.90 MEN1 (0.46) ALDH1A1EPHX2TSHRRECQLHSD17B10
SCHEMBL25516119 0.89 ALDH1A1 (0.42) ALDH1A1EPHX2TSHRRECQLFAAH
SCHEMBL13034893 0.89 ALDH1A1 (0.42) ALDH1A1EPHX2TSHRRECQLFAAH
SCHEMBL25516113 0.89 ALDH1A1 (0.42) ALDH1A1EPHX2TSHRRECQLFAAH
SCHEMBL19261664 0.89 ALDH1A1 (0.42) ALDH1A1EPHX2TSHRRECQLFAAH
SCHEMBL12743488 0.89 ALDH1A1 (0.42) ALDH1A1EPHX2TSHRRECQLFAAH
SCHEMBL25516154 0.89 ALDH1A1 (0.42) ALDH1A1EPHX2TSHRRECQLFAAH
SCHEMBL4692525 0.88 MCL1 (0.47) ALDH1A1MCL1TSHRFAAHHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988376-B2 Benzothiophene derivatives as estrogen receptor inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-05 US disclosed
US-20160368911-A1 BENZOTHIOPHENE DERIVATIVES AS ESTROGEN RECEPTOR INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-22 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-20160368911-A1 BENZOTHIOPHENE DERIVATIVES AS ESTROGEN RECEPTOR INHIBITORS ESR1, GPER1, ESR2 ALDH1A1 627/4885EPHX2 1021/4885MCL1 4406/4885

“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.