SCHEMBL1577597

SCHEMBL1577597

CC(C)C1=Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ACHE P22303 1/20 0.38
CYP11B2 P19099 2/20 0.37
CYP11B1 P15538 1/20 0.37
TRPA1 O75762 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
HTR2A P28223 1/20 0.34
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33

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
SCHEMBL30018454 1.00 PTGS2 (0.41) PTGS2MAOAMAOBACHECYP11B2
Hydrochloric Acid SCHEMBL8317645 0.96 CYP11B2 (0.39) PTGS2MAOAMAOBACHECYP11B2
SCHEMBL4652068 0.87 PTGS2 (0.41) PTGS2MAOAMAOBACHECYP11B2
SCHEMBL18538825 0.83 MAOA (0.41) PTGS2MAOAMAOBACHECYP11B2
SCHEMBL5668053 0.83 PTGS2 (0.39) PTGS2MAOAMAOBACHECYP11B2
SCHEMBL4541862 0.83 HTR2A (0.40) PTGS2MAOAMAOBACHECYP11B2
SCHEMBL28476230 0.81 KDM1A (0.46) PTGS2MAOBCYP11B2CYP11B1HTR2A
Hydrochloric Acid SCHEMBL30216607 0.78 CYP11B2 (0.41) PTGS2MAOAMAOBACHECYP11B2
SCHEMBL8854203 0.78 MAOA (0.39) PTGS2MAOAMAOBACHECYP11B2
SCHEMBL737836 0.78 MAOA (0.40) PTGS2MAOAMAOBACHECYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102964371-B A kind of preparation method of silicon bridge vicinal resistance type cyclopentadiene compounds SHANGHAI RESEARCH INSTITUTE OF CHEMICAL INDUSTRY (CN) 2015-08-12 CN claimed
CN-102964371-A Preparation method of silicon-bridged sterically-hindered cyclopentadiene compound SHANGHAI RES INST CHEMICAL IND 2013-03-13 CN claimed
CN-114599661-B Transition metal compound, method for preparing the same, and catalyst composition comprising the same 株式会社LG化学 2024-03-12 CN disclosed
CN-114599661-A Transition metal compound, method for preparing the same, and catalyst composition comprising the same 株式会社LG化学 2022-06-07 CN disclosed
CN-112105654-A Curable resin mixture, curable resin composition, and cured product thereof 日本化药株式会社 2020-12-18 CN disclosed
WO-2020031935-A1 CURABLE RESIN MIXTURE, CURABLE RESIN COMPOSITION, AND CURED PRODUCT 日本化薬株式会社 2020-02-13 WO disclosed
CN-102939311-B The method for preparing the load type catalyst system for olefinic polymerization, the catalyst system and application thereof 巴塞尔聚烯烃股份有限公司 2017-10-24 CN disclosed
CN-102964371-B A kind of preparation method of silicon bridge vicinal resistance type cyclopentadiene compounds SHANGHAI RESEARCH INSTITUTE OF CHEMICAL INDUSTRY (CN) 2015-08-12 CN disclosed
CN-102964371-A Preparation method of silicon-bridged sterically-hindered cyclopentadiene compound SHANGHAI RES INST CHEMICAL IND 2013-03-13 CN disclosed
EP-2311811-A1 NOVEL SPIRO COMPOUND, AND PHARMACEUTICAL PREPARATION COMPRISING THE SAME Kowa Company, Ltd. (JP) 2011-04-20 EP disclosed
US-20100022572-A1 NOVEL SPIRO COMPOUND AND MEDICINE COMPRISING THE SAME KOWA COMPANY, LTD. (JP) 2010-01-28 US disclosed
EP-0985674-B1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR ALPHA-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING ALPHA-OLEFIN POLYMERS MITSUBISHI CHEM CORP (JP) 2003-04-23 EP disclosed
EP-0834519-B1 CATALYST FOR POLYOLEFIN PRODUCTION AND PROCESS FOR PRODUCING POLYOLEFIN JAPAN POLYOLEFINS CO LTD (JP) 2002-03-06 EP disclosed
US-6255515-B1 COORDINATION POLYMERIZATION CATALYSTS MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-03 US disclosed
US-6121182-A A METALLOCENE CATALYST FOR POLYMERIZATION OF ISOTACTIC POLYOLEFINS WITH HIGH RIGIDITY AND HIGH MELTING POINT, USEFUL AS INDUSTRIAL MATERIAL FOR AUTOMOBILES JAPAN POLYOLAFINS CO., LTD. (JP) 2000-09-19 US disclosed
EP-0985674-A1 ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR $g(a)-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING $g(a)-OLEFIN POLYMERS MITSUBISHI CHEMICAL CORPORATION (JP) 2000-03-15 EP disclosed
EP-0617044-B1 Process for preparing cyclopentadienyl group-containing silicon compound or cyclopentadienyl group-containing germanium compound MITSUI CHEMICALS INC (JP) 1999-01-20 EP disclosed
EP-0834519-A1 CATALYST FOR POLYOLEFIN PRODUCTION AND PROCESS FOR PRODUCING POLYOLEFIN Japan Polyolefins Co., Ltd. (JP) 1998-04-08 EP disclosed
US-5360921-A REACTING LITHIUM, SODIUM OR POTASSIUM SALT OF A CYCLOPENTADIENE DERIVATIVE WITH A SILICON OR GERMANIUM HALIDE COMPOUND IN THE PRESENCE OF A CYANIDE OR A THIOCYANATE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-11-01 US disclosed
EP-0617044-A2 Process for preparing cyclopentadienyl group-containing silicon compound or cyclopentadienyl group-containing germanium compound MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-09-28 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-20100022572-A1 NOVEL SPIRO COMPOUND AND MEDICINE COMPRISING THE SAME REN, SLC5A1, SLC10A1 PTGS2 1410/4885MAOA 4728/4885MAOB 4497/4885

“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.