SCHEMBL19210357

SCHEMBL19210357

COc1ccc(C(CCOCCC(Cc2ccccc2)c2ccc(OC)cc2)Cc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
LTA4H P09960 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
BACE1 P56817 1/20 0.45
CNR2 P34972 1/20 0.44
MMP1 P03956 1/20 0.44
MMP13 P45452 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
LDHA P00338 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.42
AOC3 Q16853 1/20 0.42
MTNR1A P48039 1/20 0.41

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
SCHEMBL26152583 0.86 ALDH1A1 (0.75) ALDH1A1LTA4HL3MBTL1PPARGPPARA
SCHEMBL9857051 0.82 ALDH1A1 (0.69) ALDH1A1LTA4HL3MBTL1PPARGPPARA
SCHEMBL27961535 0.81 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ACNR2SIGMAR1
SCHEMBL631023 0.80 ALDH1A1 (0.66) ALDH1A1LTA4HL3MBTL1PPARGPPARA
SCHEMBL27961559 0.79 ALDH1A1 (0.47) ALDH1A1CYP2D6MEN1KMT2ATSHR
SCHEMBL27829876 0.77 ALDH1A1 (0.62) ALDH1A1L3MBTL1PPARGPPARACNR2
SCHEMBL26152669 0.77 ALDH1A1 (0.48) ALDH1A1PPARGPPARAMEN1KMT2A
SCHEMBL6568512 0.76 ALDH1A1 (0.61) ALDH1A1LTA4HL3MBTL1PPARGPPARA
SCHEMBL9857039 0.76 ALDH1A1 (0.61) ALDH1A1LTA4HCYP1A2CYP2D6CYP2C19
SCHEMBL9856612 0.76 ALDH1A1 (0.61) ALDH1A1LTA4HCYP1A2CYP2D6CYP2C19

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 ALDH1A1 134/4885LTA4H 560/4885L3MBTL1 1004/4885
US-20170305809-A1 AGENT FOR INTRODUCING PROTECTING GROUP FOR HYDROXY GROUP AND/OR MERCAPTO GROUP GRHPR, AOX1, MSRB3 ALDH1A1 134/4885LTA4H 560/4885L3MBTL1 1004/4885

“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.