SCHEMBL4392777

SCHEMBL4392777

O=C1CC(COCc2ccccc2)CO1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
LMNA P02545 1/20 0.48
AKT1 P31749 1/20 0.44
FKBP1A P62942 1/20 0.43
BUB1 O43683 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
NAAA Q02083 1/20 0.40
PTPN1 P18031 1/20 0.39
CDC25B P30305 1/20 0.39

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
SCHEMBL16397855 0.84 TAAR1 (0.50) TAAR1LMNAAKT1FKBP1ABUB1
SCHEMBL20439603 0.82 GRM1 (0.37) TAAR1FKBP1ANAAA
SCHEMBL5859935 0.78 CHRM5 (0.47) TAAR1
SCHEMBL337537 0.78 BUB1 (0.51) TAAR1LMNAAKT1BUB1CTSL
SCHEMBL5236823 0.78 CHRM5 (0.47) TAAR1
SCHEMBL7977009 0.78 CHRM5 (0.47) TAAR1
SCHEMBL665165 0.78 LMNA (0.45) TAAR1LMNAAKT1BUB1CTSL
SCHEMBL1865729 0.76 TSHR (0.52) TAAR1LMNABUB1CTSLCTSB
SCHEMBL27463829 0.76 LMNA (0.52) TAAR1LMNAAKT1CYP3A4TSHR
SCHEMBL5239977 0.76 TAAR1 (0.45) TAAR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3307738-B1 ARYL DIHYDRO-2H-BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE UNIV MICHIGAN REGENTS (US) 2022-04-20 EP disclosed
US-9468706-B2 Phosphoryl choline coating compositions ABBOTT CARDIOVASCULAR SYSTEMS INC. (US) 2016-10-18 US disclosed
US-20150328375-A1 Phosphoryl Choline Coating Compositions ABBOTT CARDIOVASCULAR SYSTEMS (US) 2015-11-19 US disclosed
EP-1732621-B1 PHOSPHOLIPID AND NON-FOULING COATING COMPOSITIONS ABBOTT CARDIOVASCULAR SYSTEMS (US) 2009-12-09 EP disclosed
US-20050208093-A1 Phosphoryl choline coating compositions ABBOTT CARDIOVASCULAR SYSTEMS INC. 2005-09-22 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-20050208093-A1 Phosphoryl choline coating compositions PHOSPHO1, CHKA, SGMS1 TAAR1 1212/4885LMNA 961/4885AKT1 59/4885

“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.