SCHEMBL96580

SCHEMBL96580

CC(CO)CC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
HPGD P15428 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.51
NPC1 O15118 2/20 0.51
MAPK1 P28482 3/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
CES1 P23141 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ATM Q13315 1/20 0.47

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
SCHEMBL14006544 1.00 TSHR (0.57) TSHRHPGDL3MBTL1ALDH1A1MAPT
Formaldoxime SCHEMBL28473205 0.91 L3MBTL1 (0.51) TSHRHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL9225409 0.84 TSHR (0.57) TSHRHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL96579 0.84 TSHR (0.57) TSHRHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL12158744 0.84 TSHR (0.57) TSHRHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL4770344 0.82 GSK3B (0.55) TSHRHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL11650548 0.82 ALDH1A1 (0.55) TSHRHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL8845817 0.82 TSHR (0.55) TSHRHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL9799560 0.81 TSHR (0.63) TSHRHPGDL3MBTL1ALDH1A1MAPT
SCHEMBL2026026 0.81 TSHR (0.63) TSHRHPGDL3MBTL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107533290-A RESIST BASE MATERIAL, RESIST COMPOSITION, AND METHOD FOR FORMING RESIST PATTERN 三菱瓦斯化学株式会社 2018-01-02 CN disclosed
CN-103946204-B Cyclic compound, its manufacture method, radiation-sensitive composition and corrosion-resisting pattern forming method 三菱瓦斯化学株式会社 2016-08-24 CN disclosed
CN-104281006-A Radiation-sensitive composition MITSUBISHI GAS CHEMICAL CO 2015-01-14 CN disclosed
CN-103733135-A Resist composition, method for forming resist pattern, polyphenol compound used for the same, and alcohol compound derived from the polyphenol compound MITSUBISHI GAS CHEMICAL CO 2014-04-16 CN disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
CN-1942825-B Resist composition MITSUBISHI GAS CHEMICAL CO 2010-05-12 CN disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 WO disclosed
US-RE34722-E Antiulcer agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed
US-4920133-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
US-4578381-A ANTIULCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-25 US disclosed
US-4464386-A Insecticidal 3-difluoromethoxyphenyl-1-phenylcarbamoyl-2-pyrazolines NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1984-08-07 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-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B TSHR 180/4885HPGD 228/4885L3MBTL1 3872/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TSHR 110/4885HPGD 2322/4885L3MBTL1 262/4885

“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.