SCHEMBL19210360

SCHEMBL19210360

c1ccc(C(CCOCCC(COCc2ccc3ccccc3c2)c2ccccc2)COCc2ccc3ccccc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.44
CASR P41180 4/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 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
SCHEMBL12519809 0.78 CASR (0.56) TACR1CASRSLC1A3SLC1A2SLC1A1
SCHEMBL12519812 0.78 CASR (0.56) TACR1CASRSLC1A3SLC1A2SLC1A1
SCHEMBL12444909 0.75 TACR1 (0.48) TACR1CASRSLC1A3SLC1A2SLC1A1
SCHEMBL12444912 0.75 TACR1 (0.48) TACR1CASRSLC1A3SLC1A2SLC1A1
SCHEMBL22050521 0.75 TACR1 (0.64) TACR1
SCHEMBL21995083 0.75 TACR1 (0.64) TACR1
SCHEMBL22457178 0.74 TACR1 (0.62) TACR1
SCHEMBL21994971 0.74 TACR1 (0.62) TACR1
SCHEMBL21381339 0.74 HTR2A (0.49) TACR1CASRSLC1A3SLC1A2SLC1A1
SCHEMBL433146 0.74 CYP1A2 (0.58) TACR1SLC1A3SLC1A2SLC1A1KDM4E

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 TACR1 1289/4885CASR 3364/4885FNTA 4066/4885
US-20170305809-A1 AGENT FOR INTRODUCING PROTECTING GROUP FOR HYDROXY GROUP AND/OR MERCAPTO GROUP GRHPR, AOX1, MSRB3 TACR1 1289/4885CASR 3364/4885FNTA 4066/4885

“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.