SCHEMBL18180505

SCHEMBL18180505

COC(=O)C(C)C(=O)c1ccc(CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.49
▸ ADRB1 P08588 1/20 0.49
▸ ADRB3 P13945 1/20 0.49
▸ HPGD P15428 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ CYP4A11 Q02928 3/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ CYP4F2 P78329 2/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ PTPRB P23467 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL20066503 0.86 PLK1 (0.53) KMT2ATAS1R3TAS1R1CYP4A11LOXL2
SCHEMBL8133026 0.79 ADRB2 (0.46) ADRB2ADRB1ADRB3HPGDSMN1; SMN2
SCHEMBL18082660 0.79 PLK1 (0.56) ADRB2ADRB1ADRB3SMN1; SMN2ALDH1A1
SCHEMBL27843891 0.79 ADRB2 (0.45) ADRB2ADRB1ADRB3HPGDSMN1; SMN2
SCHEMBL10538105 0.79 L3MBTL1 (0.51) HPGDSMN1; SMN2SLC6A2SLC6A3ALDH1A1
SCHEMBL13703211 0.79 SLC7A5 (0.51) SMN1; SMN2SLC6A3TDP1PKMALDH1A1
SCHEMBL7735376 0.78 KMT2A (0.53) SMN1; SMN2KMT2ATDP1ALDH1A1LMNA
SCHEMBL16453798 0.78 KMT2A (0.53) SMN1; SMN2KMT2ATDP1ALDH1A1LMNA
SCHEMBL12158530 0.77 SLC6A2 (0.49) ADRB2ADRB1ADRB3HPGDSMN1; SMN2
SCHEMBL17290731 0.76 PLK1 (0.53) HPGDSMN1; SMN2KMT2ATAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180104220-A1 IMIDAZOLE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2018-04-19 — — US disclosed
US-20180104220-A1 IMIDAZOLE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2018-04-19 — — US disclosed
US-20180104220-A1 IMIDAZOLE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2018-04-19 — — US disclosed
EP-3287453-A1 IMIDAZOLE COMPOUND Medshine Discovery Inc. (CN) 2018-02-28 — — EP disclosed
EP-3287453-A1 IMIDAZOLE COMPOUND Medshine Discovery Inc. (CN) 2018-02-28 — — EP disclosed
WO-2016169514-A1 IMIDAZOLE COMPOUND 广东众生药业股份有限公司 2016-10-27 — — WO 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 ADRB2 577/4885ADRB1 888/4885ADRB3 901/4885

“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.

Send feedback