SCHEMBL15517477

SCHEMBL15517477

COc1ccc(COc2ccc(C=O)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.63
RARA P10276 3/20 0.47
RARB P10826 2/20 0.47
RARG P13631 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC2 Q92769 1/20 0.47
RAB9A P51151 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
PGR P06401 1/20 0.44
HSPD1 P10809 1/20 0.44
GOT1 P17174 1/20 0.44
GLRA1 P23415 1/20 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
SCHEMBL6570369 0.83 S1PR1 (0.71) S1PR1RARARARBRARGRAB9A
SCHEMBL178043 0.82 RARA (0.58) S1PR1RARARARBRARGHDAC11
SCHEMBL5827566 0.80 HDAC11 (0.68) S1PR1RARARARBRARGHDAC11
SCHEMBL7689501 0.80 S1PR1 (0.51) S1PR1RARARARBRARGHDAC11
SCHEMBL27892042 0.78 RAB9A (0.60) RAB9AMEN1KMT2ATDP1LMNA
SCHEMBL9998210 0.78 S1PR1 (1.00) S1PR1PDCD1CD274
SCHEMBL9492169 0.78 RARA (0.61) S1PR1RARARARBRARGHDAC11
SCHEMBL178072 0.77 S1PR1 (0.84) S1PR1RARARARBRARGHDAC11
SCHEMBL34460879 0.77 RARA (0.51) S1PR1RARARARBRARGHDAC11
SCHEMBL9350549 0.76 S1PR1 (0.50) S1PR1RARARARBRARGHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 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-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885RARA 2920/4885RARB 2515/4885

“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.