SCHEMBL2452799

SCHEMBL2452799

Cc1cc(C)cc(Oc2ccc3cc([C@@](C)(N)CO)ccc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
BCHE P06276 5/20 0.35
ACHE P22303 5/20 0.35
SCN10A Q9Y5Y9 1/20 0.34
TEAD4 Q15561 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL2778278 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL2777100 0.89 TEAD4 (0.42) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL2449870 0.89 TEAD4 (0.42) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL2449338 0.85 KMT2A (0.43) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL2775762 0.85 KMT2A (0.43) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL2451911 0.84 RAB9A (0.51) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL2455599 0.84 RAB9A (0.51) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL2779843 0.84 VEGFA (0.36) ALDH1A1NPC1MAPTRAB9AHPGD
SCHEMBL2455438 0.84 VEGFA (0.36) ALDH1A1NPC1MAPTRAB9AHPGD
SCHEMBL2451241 0.82 MAPK14 (0.41) ALDH1A1NPC1MAPTRAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2013-03-07 US claimed
EP-2364088-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP claimed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US claimed
WO-2010051030-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 WO claimed
EP-2364088-B1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC INC (US) 2014-04-16 EP disclosed
US-8546359-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-10-01 US disclosed
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2013-03-07 US disclosed
US-8269043-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2012-09-18 US disclosed
EP-2364088-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP disclosed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US disclosed
WO-2010051030-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 WO 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-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 ALDH1A1 3931/4885SMN1; SMN2 1597/4885NPC1 365/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 ALDH1A1 4095/4885SMN1; SMN2 1095/4885NPC1 1038/4885

“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.