SCHEMBL16019238

SCHEMBL16019238

CC(=O)COC1CCCCC/C=C\1Br

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
EPHX2 P34913 1/20 0.31
CYP19A1 P11511 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
PTGDR Q13258 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
NPC1 O15118 1/20 0.30
EPHX1 P07099 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL2618028 0.87 PTGDR (0.38) SMN1; SMN2EPHX2HDAC4HDAC2HDAC8
SCHEMBL12253349 0.87 PTGDR (0.38) SMN1; SMN2EPHX2HDAC4HDAC2HDAC8
SCHEMBL12304889 0.72 EPHX1 (0.41) SMN1; SMN2EPHX2NPC1EPHX1RAB9A
SCHEMBL17421883 0.72 ALDH1A1 (0.31) RAB9A
SCHEMBL17421881 0.72 ALDH1A1 (0.31) RAB9A
SCHEMBL17421885 0.72 ALDH1A1 (0.31) RAB9A
SCHEMBL23568273 0.71 MTNR1A (0.37) SMN1; SMN2EPHX2HDAC6NPC1EPHX1
SCHEMBL11145308 0.70 EPHX1 (0.42) EPHX2CYP19A1NPC1EPHX1
SCHEMBL16204627 0.70 EPHX1 (0.42) EPHX2CYP19A1NPC1EPHX1
SCHEMBL11145822 0.70 EPHX1 (0.42) EPHX2CYP19A1NPC1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256831-A1 HYDROGEL AND METHOD FOR PRODUCING SAME THE UNIVERSITY OF TOKYO (JP) 2014-09-11 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-20140256831-A1 HYDROGEL AND METHOD FOR PRODUCING SAME CD44, CSGALNACT1, CDC37 THRA 2089/4885THRB 3229/4885SMN1; SMN2 4787/4885

“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.