SCHEMBL35985

SCHEMBL35985

CCCCCCc1ccc(-c2ccc(C=O)cc2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.50
HSD11B1 P28845 2/20 0.47
RARA P10276 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
RARG P13631 1/20 0.43
GPR3 P46089 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
HTR2A P28223 1/20 0.42
PLA2G4A P47712 1/20 0.41
KCNH2 Q12809 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL36172 0.85 RAB9A (0.51) RARBHSD11B1ALDH1A1MAPT
SCHEMBL30352382 0.82 BID (0.40) RARBMAPTGPR3HSD17B10
SCHEMBL30861655 0.82 BID (0.40) RARBMAPTGPR3HSD17B10
SCHEMBL30861666 0.82 BID (0.40) RARBMAPTGPR3HSD17B10
SCHEMBL10774079 0.82 KCNH2 (0.45) RARBHSD11B1RARAMEN1ALDH1A1
SCHEMBL35867 0.81 HSD11B1 (0.61) RARBHSD11B1RARAMEN1ALDH1A1
SCHEMBL5599432 0.81 HSD11B1 (0.61) RARBHSD11B1RARAMEN1ALDH1A1
SCHEMBL36417 0.81 RARB (0.54) RARBHSD11B1RARAMEN1ALDH1A1
SCHEMBL13617779 0.80 RARB (0.58) RARBRARAMEN1ALDH1A1MAPT
Phosphine SCHEMBL27456116 0.80 HSD11B1 (0.59) RARBHSD11B1RARAMEN1ALDH1A1

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
US-8513220-B2 Aromatic compounds having sphingosine-1-phosphonate (S1P) receptor activity ALLERGAN, INC. (US) 2013-08-20 US disclosed
EP-2569322-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY Allergan, Inc. (US) 2013-03-20 EP disclosed
US-20130018019-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2013-01-17 US disclosed
WO-2011143332-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2011-11-17 WO disclosed
US-20110281822-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2011-11-17 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 (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-20130018019-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY S1PR1, S1PR3, S1PR2 RARB 1621/4885HSD11B1 1684/4885RARA 1886/4885
US-20110281822-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY S1PR1, S1PR3, S1PR2 RARB 1621/4885HSD11B1 1684/4885RARA 1886/4885

“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.