SCHEMBL1006031

SCHEMBL1006031

CC(=O)ON1C(=O)C2C3C=CC(C3)C2C1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 6/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 3/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.42
LMNA P02545 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
SCHEMBL20919927 0.85 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2PKMKMT2A
SCHEMBL13700490 0.85 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2PKMKMT2A
SCHEMBL21987044 0.85 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2PKMKMT2A
SCHEMBL15759448 0.84 ALDH1A1 (0.52) ALDH1A1TDP1SMN1; SMN2PKMKMT2A
SCHEMBL21987047 0.84 ALDH1A1 (0.55) ALDH1A1TDP1SMN1; SMN2PKMKMT2A
SCHEMBL20919929 0.84 ALDH1A1 (0.55) ALDH1A1TDP1SMN1; SMN2PKMKMT2A
SCHEMBL2584632 0.84 ALDH1A1 (0.55) ALDH1A1TDP1SMN1; SMN2PKMKMT2A
SCHEMBL21987045 0.84 ALDH1A1 (0.55) ALDH1A1TDP1SMN1; SMN2PKMKMT2A
SCHEMBL14384743 0.83 KMT2A (0.58) ALDH1A1TDP1SMN1; SMN2PKMKMT2A
SCHEMBL761891 0.83 KMT2A (0.58) ALDH1A1TDP1SMN1; SMN2PKMKMT2A

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0307553-B1 Modified splenopentines, their process of preparation and their use BERLIN CHEMIE AG (DE) 1994-06-15 EP claimed
WO-2024130535-A1 ELECTROCHEMICAL DEVICE AND ELECTRONIC DEVICE 东莞新能源科技有限公司 2024-06-27 WO disclosed
WO-2024130537-A1 ELECTROLYTE, ELECTROCHEMICAL APPARATUS AND ELECTRONIC APPARATUS 东莞新能源科技有限公司 2024-06-27 WO disclosed
US-9242921-B2 Process for producing aromatic carboxylic acid DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2016-01-26 US disclosed
EP-2081955-B1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-05-06 EP disclosed
US-8765909-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-01 US disclosed
US-8404643-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-26 US disclosed
US-7960348-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-20110118172-A1 METASTIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110059888-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-10 US disclosed
US-4948534-A ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-08-14 US disclosed
EP-0326106-A2 Alkylene diamines Takeda Chemical Industries, Ltd. (JP) 1989-08-02 EP disclosed
EP-0127098-B1 DERIVATIVES OF BETA-AMINO-GAMMA-TRIMETHYLAMMONIO-BUTYRATE, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed
US-4767781-A ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-08-30 US disclosed
EP-0127098-A2 Derivatives of beta-amino-gamma-trimethylammonio-butyrate, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-12-05 EP disclosed
US-4105608-A HIGH IMPACT COMPOSITION OF RING-OPENING POLYMERIZATION PRODUCT SHOWA DENKO K.K. (JP) 1978-08-08 US disclosed
US-4059561-A AND A HALOGEN COMPOUND SHOWA DENKO KABUSHIKI KAISHA (JA) 1977-11-22 US disclosed
US-4022954-A ADHESIVES, FLOCCULATING AGENTS, ION EXCHANGE RESINS, MOLDING AGENTS SHOWA DENKO KABUSHIKI KAISHA (JA) 1977-05-10 US disclosed
US-3991139-A NORBORNENE DERIVATIVES, PHENOLS, ESTER THIOETHERS SHOWA DENKO KABUSHIKI KAISHA (JA) 1976-11-09 US disclosed
US-3959234-A CATALYSTS OF ORGANOALUMINUM COMPOUNDS AND A TUNGSTEN OR MOLYBDENUM COMPOUND, RING-OPENING SHOWA DENKO KABUSHIKI KAISHA (JA) 1976-05-25 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 (2 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-20110059888-A1 METASTIN DERIVATIVES AND USE THEREOF SHBG, GNRHR, INHA ALDH1A1 3927/4885TDP1 4653/4885SMN1; SMN2 2768/4885
US-20110118172-A1 METASTIN DERIVATIVE AND USE THEREOF GNRHR, SHBG, INHA ALDH1A1 3515/4885TDP1 4668/4885SMN1; SMN2 2827/4885

“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.