SCHEMBL4883646

SCHEMBL4883646

COC(=O)COC(C(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.46
POLB P06746 2/20 0.45
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
ACSS2 Q9NR19 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CES1 P23141 1/20 0.39
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 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
Hydrochloric Acid SCHEMBL4883587 0.98 KCNN4 (0.44) KCNN4POLBCYP1A2CYP2D6ACSS2
SCHEMBL2822033 0.82 KCNN4 (0.48) KCNN4POLBALDH1A1CES1CYP2C19
SCHEMBL29140121 0.82 ALOX15 (0.45) KCNN4POLBCYP1A2CYP2D6ALDH1A1
SCHEMBL9292260 0.81 KCNN4 (0.47) KCNN4POLBALDH1A1CES1CYP2C19
SCHEMBL10334692 0.77 KCNN4 (0.47) KCNN4POLBCYP2D6ACSS2ALDH1A1
SCHEMBL2443032 0.77 CHRM2 (0.54) KCNN4POLBCYP1A2CYP2D6ALDH1A1
SCHEMBL340836 0.75 KCNN4 (0.52) KCNN4CYP1A2CYP2D6ALDH1A1CES1
Hydrochloric Acid SCHEMBL4541197 0.75 CHRM2 (0.52) KCNN4POLBCYP1A2CYP2D6ALDH1A1
Ammonia Solution, Strong SCHEMBL9292403 0.74 KCNN4 (0.50) KCNN4CYP1A2CYP2D6ALDH1A1CES1
Hydrochloric Acid SCHEMBL8044029 0.74 KCNN4 (0.50) KCNN4CYP1A2CYP2D6ALDH1A1CES1

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-20080027094-A1 Tropane Compounds and Pharmaceutical Compositions Comprising the Same as an Active Ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-31 US disclosed
EP-1785421-A1 TROPAN COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 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-20080027094-A1 Tropane Compounds and Pharmaceutical Compositions Comprising the Same as an Active Ingredient CHRM1, CHRM3, CHRM2 KCNN4 1428/4885POLB 2737/4885CYP1A2 358/4885

“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.