SCHEMBL950288

SCHEMBL950288

CCOC(=O)C(CO)Sc1ccc2cc(Cl)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX5 P09917 1/20 0.40
PTGES O14684 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP2D6 P10635 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PRNP P04156 1/20 0.38
TSHR P16473 2/20 0.38
ABCB11 O95342 1/20 0.38

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
SCHEMBL949028 0.78 ALOX15 (0.41) ALOX15LMNAMAPTALDH1A1TDP1
SCHEMBL14346620 0.78 TSHR (0.48) LMNAMAPTALDH1A1TDP1CYP3A4
SCHEMBL948935 0.78 ALOX15 (0.43) ALOX15LMNAMAPTALDH1A1TDP1
SCHEMBL1464955 0.77 EPHX1 (0.50) LMNAALDH1A1ALOX5SMN1; SMN2HTT
SCHEMBL7014510 0.77 ALOX15 (0.42) ALOX15LMNAMAPTALDH1A1TDP1
SCHEMBL1565028 0.73 ALOX5 (0.53) LMNAMAPTALDH1A1TDP1CYP3A4
SCHEMBL11189920 0.73 MAPT (0.62) LMNAMAPTALDH1A1TDP1CYP3A4
SCHEMBL949030 0.72 HTT (0.53) ALOX15LMNAMAPTALDH1A1L3MBTL1
SCHEMBL728933 0.71 KMT2A (0.55) LMNAMAPTALDH1A1L3MBTL1ALOX5
SCHEMBL7371798 0.71 EPHX1 (0.53) LMNAMAPTALDH1A1TDP1SMN1; SMN2

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-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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 (2 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 ALOX15 1326/4885LMNA 2660/4885MAPT 4771/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 ALOX15 1125/4885LMNA 2787/4885MAPT 4800/4885

“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.