SCHEMBL19210356

SCHEMBL19210356

COc1ccc(CC(CCc2ccccc2)OC(CCc2ccccc2)Cc2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.54
LTA4H P09960 1/20 0.53
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49
ABCB1 P08183 1/20 0.49
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
LDHA P00338 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL8794072 0.81 SIGMAR1 (0.41) SIGMAR1LTA4HALDH1A1TDP1KDM4E
SCHEMBL5414053 0.81 SLC6A4 (0.54) SIGMAR1LTA4HALDH1A1TDP1KDM4E
SCHEMBL7301442 0.81 SIGMAR1 (0.54) SIGMAR1LTA4HALDH1A1TDP1KDM4E
SCHEMBL28347287 0.80 ALDH1A1 (0.60) SIGMAR1LTA4HALDH1A1TDP1ABCB1
SCHEMBL28347286 0.80 ALDH1A1 (0.60) SIGMAR1LTA4HALDH1A1TDP1ABCB1
SCHEMBL2355634 0.78 LTA4H (0.75) SIGMAR1LTA4HTDP1ABCB1KMT2A
SCHEMBL5322499 0.78 SLC6A4 (0.50) LTA4HALDH1A1LDHAKMT2AMEN1
SCHEMBL18063436 0.78 ALDH1A1 (0.58) SIGMAR1LTA4HALDH1A1TDP1KDM4E
SCHEMBL6176616 0.77 MMP3 (0.60) ALDH1A1PPARGPPARALDHAKMT2A
SCHEMBL22431469 0.77 SIGMAR1 (0.64) SIGMAR1ALDH1A1KDM4EMAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3205639-B1 AGENT FOR INTRODUCING A PROTECTING GROUP FOR HYDROXY GROUP AND/OR FOR MERCAPTO GROUP UNIV KYUSHU NAT UNIV CORP (JP) 2021-08-11 EP disclosed
US-10160694-B2 Agent for introducing protecting group for hydroxy group and/or mercapto group KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2018-12-25 US disclosed
US-20170305809-A1 AGENT FOR INTRODUCING PROTECTING GROUP FOR HYDROXY GROUP AND/OR MERCAPTO GROUP KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2017-10-26 US disclosed
EP-3205639-A1 PROTECTING-GROUP INTRODUCING AGENT FOR HYDROXY GROUP AND/OR MERCAPTO GROUP Kyushu University, National University Corporation (JP) 2017-08-16 EP 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 (2 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-10160694-B2 Agent for introducing protecting group for hydroxy group and/or mercapto group GRHPR, AOX1, MSRB3 SIGMAR1 522/4885LTA4H 560/4885ALDH1A1 134/4885
US-20170305809-A1 AGENT FOR INTRODUCING PROTECTING GROUP FOR HYDROXY GROUP AND/OR MERCAPTO GROUP GRHPR, AOX1, MSRB3 SIGMAR1 522/4885LTA4H 560/4885ALDH1A1 134/4885

“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.