SCHEMBL3987478

SCHEMBL3987478

CCCCCCCCCCCCC1CCOC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
EPHX1 P07099 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 1/20 0.41
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
TLR7 Q9NYK1 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
SPHK1 Q9NYA1 4/20 0.37
SPHK2 Q9NRA0 3/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL14040310 1.00 CYP1A2 (0.50) CYP1A2EPHX1ALDH1A1MEN1HTT
SCHEMBL7908823 0.98 CYP1A2 (0.52) CYP1A2EPHX1ALDH1A1MEN1HTT
SCHEMBL6130811 0.91
SCHEMBL12289432 0.91
SCHEMBL8635934 0.90 CYP1A2 (0.46) CYP1A2EPHX1ALDH1A1MEN1HTT
SCHEMBL4906446 0.88 EPHX1 (0.47) CYP1A2EPHX1ALDH1A1MEN1HTT
SCHEMBL4906247 0.88 EPHX1 (0.47) CYP1A2EPHX1ALDH1A1MEN1HTT
SCHEMBL4907769 0.88 EPHX1 (0.47) CYP1A2EPHX1ALDH1A1MEN1HTT
SCHEMBL4905120 0.88 EPHX1 (0.47) CYP1A2EPHX1ALDH1A1MEN1HTT
SCHEMBL2927220 0.88 EPHX1 (0.47) CYP1A2EPHX1ALDH1A1MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504537-B2 Hydroxamic acid derivative and MMP inhibitor containing the same as active ingredient DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-03-17 US disclosed
US-20050282905-A1 Hydroxamic acid derivative and mmp inhibitor containing the same as active ingredient DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-12-22 US disclosed
EP-1466899-A1 HYDROXAMIC ACID DERIVATIVE AND MMP INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-10-13 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-20050282905-A1 Hydroxamic acid derivative and mmp inhibitor containing the same as active ingredient MMP13, MMP3, MMP2 CYP1A2 2236/4885EPHX1 1185/4885ALDH1A1 871/4885

“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.