SCHEMBL19210358

SCHEMBL19210358

c1ccc(CCCOCOCc2ccc3ccccc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.45
BCHE P06276 3/20 0.45
SIGMAR1 Q99720 3/20 0.45
REN P00797 4/20 0.45
TPSAB1 Q15661 1/20 0.43
ALOX5 P09917 1/20 0.42
IDO1 P14902 1/20 0.42
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR3A P46098 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HTR4 Q13639 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
SCHEMBL19210354 0.92 TDP1 (0.55) TDP1L3MBTL1CYP1A2BCHESIGMAR1
SCHEMBL16174483 0.82 CYP1A2 (0.52) TDP1CYP1A2SIGMAR1ALOX5SLC6A2
SCHEMBL6298407 0.80 SIGMAR1 (0.58) TDP1CYP1A2SIGMAR1TPSAB1SLC6A4
SCHEMBL4625658 0.80 SIGMAR1 (0.58) TDP1CYP1A2SIGMAR1TPSAB1SLC6A4
SCHEMBL20127257 0.80 IDO1 (0.61) TDP1L3MBTL1SIGMAR1IDO1HTR2A
SCHEMBL6832302 0.79 TDP1 (0.61) TDP1L3MBTL1SIGMAR1IDO1
SCHEMBL22873138 0.79 TDP1 (0.49) TDP1L3MBTL1RENALOX5
SCHEMBL7648436 0.78 TSHR (0.62) CYP1A2RENALOX5SLC6A2HTR2A
SCHEMBL2090154 0.76 SIGMAR1 (0.50) TDP1CYP1A2SIGMAR1TPSAB1SLC6A2
SCHEMBL29477161 0.76 CYP1A2 (0.65) CYP1A2BCHESIGMAR1HTR2A

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 TDP1 4306/4885L3MBTL1 1004/4885CYP1A2 262/4885
US-20170305809-A1 AGENT FOR INTRODUCING PROTECTING GROUP FOR HYDROXY GROUP AND/OR MERCAPTO GROUP GRHPR, AOX1, MSRB3 TDP1 4306/4885L3MBTL1 1004/4885CYP1A2 262/4885

“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.