SCHEMBL566677

SCHEMBL566677

C#Cc1ccc(OC)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.48
RARB P10826 3/20 0.48
RARG P13631 3/20 0.48
LMNA P02545 3/20 0.48
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 2/20 0.48
NR1I2 O75469 1/20 0.48
PGR P06401 1/20 0.48
HSPD1 P10809 1/20 0.48
GOT1 P17174 1/20 0.48
GLRA1 P23415 1/20 0.48
BLM P54132 1/20 0.48
HSPE1 P61604 1/20 0.48
HDAC11 Q96DB2 2/20 0.46
HDAC2 Q92769 1/20 0.46
S1PR1 P21453 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC8 Q9BY41 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
SCHEMBL9251196 0.85 RARA (0.51) RARARARBRARGLMNAKMT2A
SCHEMBL8570408 0.84 RARA (0.47) RARARARBRARGLMNAKMT2A
SCHEMBL8572145 0.81 RARA (0.55) RARARARBRARGLMNAKMT2A
SCHEMBL641031 0.80 RARB (0.67) RARARARBRARGLMNAKMT2A
SCHEMBL8572141 0.79 S1PR1 (0.34) RARARARBRARGLMNAKMT2A
SCHEMBL8569853 0.79 S1PR1 (0.34) RARARARBRARGLMNAKMT2A
SCHEMBL8572140 0.79 RARA (0.38) RARARARBRARGLMNAKMT2A
SCHEMBL10014917 0.78 RARA (0.52) RARARARBRARGLMNAKMT2A
SCHEMBL8616987 0.78 RARA (0.65) RARARARBRARGLMNAKMT2A
SCHEMBL10014913 0.78 RARA (0.49) RARARARBRARGLMNAKMT2A

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 6 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
US-5798354-A COSMETIC, THERAPY CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-08-25 US disclosed
EP-0679631-B1 Biaromatic acetylated, an adamantyl group containing compounds, pharmaceutical and cosmetic compositions containing them and their use CIRD GALDERMA (FR) 1998-05-06 EP disclosed
US-5574036-A Adamantyl-substituted polycyclic acetylene compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1996-11-12 US disclosed
EP-0679631-A1 Biaromatic acetylated, an adamantyl group containing compounds, pharmaceutical and cosmetic compositions containing them and their use CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1995-11-02 EP 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.