SCHEMBL17024328

SCHEMBL17024328

Cc1cc(OCc2ccccc2)ccc1C(C)(N)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAOB P27338 7/20 0.46
RAB9A P51151 3/20 0.45
MAOA P21397 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
NPC1 O15118 3/20 0.44

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
SCHEMBL17024339 0.77 LMNA (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL4063734 0.77 ALOX5 (0.50) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL30779646 0.77 ALOX5 (0.50) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL8335885 0.76 ALOX5 (0.61) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL9631198 0.76 MEN1 (0.53) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL20607841 0.75 MAOB (0.50) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL1437457 0.75 MAOB (0.60) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL1894067 0.75 MAOB (0.58) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL13021506 0.75 MAOB (0.56) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL9434980 0.74 MAOB (0.59) MAOBRAB9AMAOAL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2015-08-27 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-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 ALOX5 1172/4885LMNA 1954/4885CYP1A2 1394/4885

“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.