SCHEMBL20066503

SCHEMBL20066503

CCc1ccc(C(=O)C(C)C(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CHRM2 P08172 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ ADRA2B P18089 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ TAS1R3 Q7RTX0 2/20 0.45
▸ TAS1R1 Q7RTX1 2/20 0.45
▸ LMNA P02545 3/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ RXRA P19793 1/20 0.41

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
SCHEMBL18180505 0.86 ADRB2 (0.49) PLK1ALDH1A1TDP1L3MBTL1TAS1R3
SCHEMBL19520440 0.82 ALDH1A1 (0.55) PLK1ALDH1A1TDP1CHRM2CYP2D6
SCHEMBL18082660 0.79 PLK1 (0.56) PLK1ALDH1A1LMNANPC1RAB9A
SCHEMBL27843891 0.79 ADRB2 (0.45) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL10538105 0.79 L3MBTL1 (0.51) ALDH1A1L3MBTL1KCNH2LMNANPC1
SCHEMBL13703211 0.79 SLC7A5 (0.51) ALDH1A1TDP1CHRM2DRD3KCNH2
SCHEMBL16453798 0.78 KMT2A (0.53) ALDH1A1TDP1L3MBTL1ADRA2BKCNH2
SCHEMBL7735376 0.78 KMT2A (0.53) ALDH1A1TDP1L3MBTL1ADRA2BKCNH2
SCHEMBL3129690 0.77 ALDH1A1 (0.59) PLK1ALDH1A1TDP1CHRM2CYP2D6
SCHEMBL17290731 0.76 PLK1 (0.53) PLK1ALDH1A1TAS1R3TAS1R1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180104220-A1 IMIDAZOLE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2018-04-19 — — 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-20180104220-A1 IMIDAZOLE COMPOUND MAPT, SLC10A2, SLC5A11 PLK1 171/4885ALDH1A1 1316/4885TDP1 1221/4885

“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.

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