SCHEMBL3137822

SCHEMBL3137822

COC(c1ccc(-c2ccccc2)cc1)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.53
IDO1 P14902 4/20 0.52
FFAR1 O14842 1/20 0.46
SLC6A4 P31645 2/20 0.45
FPR2 P25090 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
PTGS2 P35354 1/20 0.39
SLC6A2 P23975 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 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
SCHEMBL19144912 0.88 IDO1 (0.64) EPHX1IDO1SLC6A4FPR2PROKR1
SCHEMBL12066334 0.79 IDO1 (0.68) EPHX1IDO1SLC6A4FPR2PROKR1
SCHEMBL16979030 0.79 SLC6A4 (0.49) IDO1SLC6A4FPR2PROKR1SLC6A2
SCHEMBL11248115 0.77 SLC6A4 (0.47) IDO1SLC6A4FPR2PROKR1SLC6A2
SCHEMBL4598274 0.77 SLC6A4 (0.47) IDO1SLC6A4FPR2PROKR1SLC6A2
SCHEMBL744402 0.77 SLC6A4 (0.47) EPHX1IDO1SLC6A4FPR2PROKR1
SCHEMBL6373300 0.76 SLC6A2 (0.56) SLC6A4SLC6A2
SCHEMBL28601137 0.76 FFAR1 (0.51) FFAR1SLC6A4PTGS2SLC6A2CHRNB2
SCHEMBL16262381 0.76 EPHX1 (0.41) EPHX1IDO1SLC6A4FPR2PROKR1
Iodide SCHEMBL744206 0.76 SLC6A4 (0.46) EPHX1IDO1SLC6A4FPR2PROKR1

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
EP-1867650-B1 HYDROXYMETHYLBORON COMPOUNDS EISAI R&D MAN CO LTD (JP) 2012-06-27 EP disclosed
US-7696347-B2 Oxymethyl boron compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-13 US disclosed
US-20080242859-A1 Oxymethyl Boron Compounds EISAI R&D MANAGEMENT CO., LTD (JP) 2008-10-02 US disclosed
EP-1867650-A1 HYDROXYMETHYLBORON COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2007-12-19 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-20080242859-A1 Oxymethyl Boron Compounds BPGM, DDT, DBN1 EPHX1 1367/4885IDO1 468/4885FFAR1 4839/4885

“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.