SCHEMBL5515413

SCHEMBL5515413

CC(O[C]=O)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.52
AOC3 Q16853 2/20 0.43
MMP9 P14780 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
ATM Q13315 1/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
CASR P41180 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL19354578 0.82 UGT2B7 (0.52) UGT2B7AOC3MMP9MEN1KMT2A
SCHEMBL2956980 0.79 UGT2B7 (0.61) UGT2B7AOC3MMP9MEN1KMT2A
SCHEMBL11672373 0.79 UGT2B7 (0.61) UGT2B7AOC3MMP9MEN1KMT2A
SCHEMBL7055482 0.79 UGT2B7 (0.61) UGT2B7AOC3MMP9MEN1KMT2A
SCHEMBL9572783 0.78 AOC3 (0.47) UGT2B7AOC3MMP9MEN1KMT2A
SCHEMBL1753651 0.77 UGT2B7 (0.59) UGT2B7AOC3MMP9MEN1KMT2A
SCHEMBL16970628 0.77 HCAR2 (0.43) KMT2AHIF1AADRA2AADRA2BADRA2C
SCHEMBL16970750 0.77 HCAR2 (0.43) KMT2AHIF1AADRA2AADRA2BADRA2C
SCHEMBL96935 0.77 HCAR2 (0.43) KMT2AHIF1AADRA2AADRA2BADRA2C
SCHEMBL9373270 0.76 CYP1A2 (0.45) KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024075815-A1 8-HYDROXYQUINOLINE COMPOUND AND USE THEREOF 国立大学法人大阪大学 2024-04-11 WO disclosed
CN-107531624-B Pyrrolidine compounds 住友化学株式会社 2020-10-02 CN disclosed
EP-3287440-B1 PYRROLIDINE COMPOUND SUMITOMO CHEMICAL CO (JP) 2019-03-27 EP disclosed
US-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 US disclosed
US-10040760-B2 Pyrrolidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-08-07 US disclosed
US-20180127364-A1 PYRROLIDINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-10 US disclosed
EP-3287440-A1 PYRROLIDINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2018-02-28 EP disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 US disclosed
EP-3015516-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL Nippon Kayaku Kabushiki Kaisha (JP) 2016-05-04 EP disclosed
US-7223755-B2 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-05-29 US disclosed
US-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 US disclosed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO disclosed
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 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 (3 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-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof CAPN1, OPRM1, CAPN2 UGT2B7 1446/4885AOC3 2544/4885MMP9 719/4885
US-20180127364-A1 PYRROLIDINE COMPOUND CAT, POLI, PPOX UGT2B7 2742/4885AOC3 1257/4885MMP9 424/4885
US-10040760-B2 Pyrrolidine compound CAT, POLI, PPOX UGT2B7 2742/4885AOC3 1257/4885MMP9 424/4885

“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.