SCHEMBL566302

SCHEMBL566302

CC(C)Oc1cc(C=C[N+](=O)[O-])ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 7/20 0.46
EGFR P00533 2/20 0.43
SYK P43405 2/20 0.43
GALR2 O43603 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC11 Q96DB2 3/20 0.41
FBP1 P09467 7/20 0.38
ABL1 P00519 1/20 0.37
ABL2 P42684 1/20 0.37
NPC1 O15118 1/20 0.37
MTOR P42345 1/20 0.37
RAB9A P51151 1/20 0.37
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37

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
SCHEMBL566301 1.00 VCP (0.46) VCPEGFRSYKGALR2ALDH1A1
SCHEMBL567032 0.91 VCP (0.46) VCPEGFRSYKGALR2ALDH1A1
SCHEMBL567031 0.91 VCP (0.46) VCPEGFRSYKGALR2ALDH1A1
SCHEMBL565245 0.82 HDAC11 (0.43) ALDH1A1LMNAHDAC11RARARARB
SCHEMBL1158758 0.74 VCP (0.78) VCPEGFRSYKGALR2ALDH1A1
SCHEMBL1158756 0.74 VCP (0.78) VCPEGFRSYKGALR2ALDH1A1
SCHEMBL566879 0.72 HDAC11 (0.48) ALDH1A1LMNAMAPTHDAC11RARA
SCHEMBL566311 0.69 CNR1 (0.42) LMNAMAPK1SMN1; SMN2HDAC11RARA
SCHEMBL574996 0.69 MAPT (0.49) ALDH1A1LMNAMAPTNPSR1HDAC11
SCHEMBL566304 0.68 KDM4E (0.40) ALDH1A1LMNAMAPK1SMN1; SMN2HDAC11

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-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 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 (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 VCP 3314/4885EGFR 522/4885SYK 1616/4885

“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.