SCHEMBL12190874

SCHEMBL12190874

CCOC(COC(=O)c1ccccc1)COC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
ADRB2 P07550 2/20 0.53
ADRB1 P08588 2/20 0.53
ADRB3 P13945 2/20 0.53
NPC1 O15118 2/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
PRKCA P17252 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SLC1A5 Q15758 1/20 0.46

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
SCHEMBL13065555 0.93 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2ADRB2ADRB1
SCHEMBL295552 0.87 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2ADRB2ADRB1
SCHEMBL714676 0.86 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2ADRB2ADRB1
SCHEMBL22832408 0.85 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2ADRB2ADRB1
SCHEMBL10649848 0.83 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2ADRB2ADRB1
SCHEMBL12482627 0.83 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2ADRB2ADRB1
SCHEMBL8140984 0.83 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2ADRB2ADRB1
SCHEMBL22832625 0.82 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2ADRB2ADRB1
SCHEMBL22832554 0.82 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2ADRB2ADRB1
SCHEMBL295187 0.82 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030338-B2 Method for producing 2-nitroimidazole derivative POLA PHARMA INC. (JP) 2011-10-04 US disclosed
US-20100004460-A1 METHOD FOR PRODUCING 2-NITROIMIDAZOLE DERIVATIVE POLA PHARMA INC (JP) 2010-01-07 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-20100004460-A1 METHOD FOR PRODUCING 2-NITROIMIDAZOLE DERIVATIVE GALK1, HOGA1, DERA ALDH1A1 519/4885LMNA 2553/4885SMN1; SMN2 4651/4885

“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.