SCHEMBL10139270

SCHEMBL10139270

COc1ccc(CCc2ccc(CCC(N)(CO)CO)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.45
RARB P10826 3/20 0.45
RARG P13631 3/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 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
BLM P54132 1/20 0.44
HSPE1 P61604 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
S1PR1 P21453 4/20 0.44
HDAC11 Q96DB2 2/20 0.42
HDAC2 Q92769 1/20 0.42
ALOX15 P16050 1/20 0.41
SPHK2 Q9NRA0 2/20 0.40
SPHK1 Q9NYA1 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
SCHEMBL10139271 0.91 HDAC11 (0.53) RARARARBRARGLMNAMEN1
SCHEMBL10139272 0.86 S1PR1 (0.39) RARARARBRARGLMNAMEN1
Hydrochloric Acid SCHEMBL566087 0.85 S1PR1 (0.39) RARARARBRARGLMNAMEN1
SCHEMBL566429 0.82 S1PR1 (0.60) S1PR1SPHK2SPHK1TNNC1S1PR3
Hydrochloric Acid SCHEMBL567052 0.81 S1PR1 (0.59) S1PR1SPHK2SPHK1TNNC1S1PR3
SCHEMBL2867798 0.81 RARA (0.43) RARARARBRARGMEN1KMT2A
SCHEMBL8997645 0.81 RARA (0.64) RARARARBRARGLMNAMEN1
Hydrochloric Acid SCHEMBL566401 0.80 RARB (0.42) RARARARBRARGMEN1KMT2A
SCHEMBL10139273 0.80 S1PR1 (0.43) RARARARBRARGS1PR1ALOX15
SCHEMBL3318535 0.79 S1PR1 (0.53) RARARARBRARGLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 RARA 4192/4885RARB 3838/4885RARG 4003/4885

“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.