SCHEMBL5194892

SCHEMBL5194892

CC(=O)OCCOc1ccc(C(=O)OCc2ccccc2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ L3MBTL1 Q9Y468 7/20 0.49
▸ MAOB P27338 4/20 0.49
▸ TDP1 Q9NUW8 4/20 0.49
▸ TSHR P16473 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ MAPT P10636 3/20 0.44
▸ POLB P06746 2/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42

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
SCHEMBL14430289 0.88 L3MBTL1 (0.51) ALDH1A1L3MBTL1MAOBTDP1TSHR
SCHEMBL17958912 0.87 MAOB (0.59) ALDH1A1L3MBTL1MAOBTDP1TSHR
SCHEMBL5195459 0.87 MAOB (0.49) ALDH1A1L3MBTL1MAOBTDP1TSHR
SCHEMBL5063445 0.87 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAOBTDP1TSHR
SCHEMBL5194255 0.86 MEN1 (0.53) ALDH1A1L3MBTL1MAOBTDP1TSHR
SCHEMBL5193405 0.86 L3MBTL1 (0.50) ALDH1A1L3MBTL1MAOBTDP1TSHR
SCHEMBL25683662 0.85 L3MBTL1 (0.55) ALDH1A1L3MBTL1MAOBTDP1TSHR
SCHEMBL5194512 0.84 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAOBTDP1TSHR
SCHEMBL25683635 0.82 DHODH (0.54) ALDH1A1L3MBTL1TDP1TSHRCYP3A4
SCHEMBL5191841 0.82 PDE3B (0.44) ALDH1A1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232594-A1 Aromatic amide derivatives, medicinal compositions containing the same, medical uses of both KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 — — US disclosed
US-20070232594-A1 Aromatic amide derivatives, medicinal compositions containing the same, medical uses of both KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 — — US disclosed
US-20070232594-A1 Aromatic amide derivatives, medicinal compositions containing the same, medical uses of both KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 — — US disclosed
EP-1813603-A1 AROMATIC AMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICAL USES OF BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 — — 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-20070232594-A1 Aromatic amide derivatives, medicinal compositions containing the same, medical uses of both AVPR2, AVPR1A, AVPR1B ALDH1A1 1557/4885L3MBTL1 2769/4885MAOB 892/4885

“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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