SCHEMBL1733355

SCHEMBL1733355

CC12CC3(C)CC(O)(C1)CC(C(=O)O)(C2)C3

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
DPP4 P27487 2/20 0.38
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GRM1 Q13255 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR3 O14843 1/20 0.33
ALOX12 P18054 1/20 0.31

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
SCHEMBL5607856 0.95 PKM (0.43) PKMRAB9ASMN1; SMN2ALDH1A1DPP4
SCHEMBL5607548 0.95 PKM (0.43) PKMRAB9ASMN1; SMN2ALDH1A1DPP4
SCHEMBL301039 0.88 PKM (0.59) PKMRAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL2745710 0.85 PKM (0.56) PKMRAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL13738157 0.85
SCHEMBL6226927 0.85 PKM (0.35) PKMRAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL5614131 0.83 PKM (0.54) PKMRAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL5080859 0.83 PKM (0.52) PKMRAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL16038181 0.83
SCHEMBL7734562 0.82 PKM (0.48) PKMRAB9ASMN1; SMN2ALDH1A1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105980347-B Method for producing novel alicyclic ester compound, (meth) acrylic copolymer obtained by polymerizing the same, and photosensitive resin composition containing the same 三菱瓦斯化学株式会社 2019-08-16 CN disclosed
EP-3106477-B1 (METH)ACRYLIC ACID ESTER COMPOUND AND PRODUCTION METHOD THEREFOR MITSUBISHI GAS CHEMICAL CO (JP) 2018-08-29 EP disclosed
US-10005714-B2 (Meth)acrylic acid ester compound and production method therefor MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-06-26 US disclosed
US-9994513-B2 Method for producing novel ali cyclic ester compound, novel alicyclic ester compound, (meth)acrylic copolymer produced by polymerizing said compound, and photosensitive resin composition using said copolymer MITSUBISHI GAS CHEMICAL, INC. (JP) 2018-06-12 US disclosed
EP-2990425-B1 NOVEL ALICYCLIC ESTER COMPOUND, AND (METH)ACRYLIC COPOLYMER AND PHOTOSENSITIVE RESIN COMPOSITION CONTAINING SAME MITSUBISHI GAS CHEMICAL CO (JP) 2018-05-30 EP disclosed
CN-105960419-B (methyl) acrylate compounds and its manufacture method 三菱瓦斯化学株式会社 2018-03-16 CN disclosed
US-20170008830-A1 (METH)ACRYLIC ACID ESTER COMPOUND AND PRODUCTION METHOD THEREFOR MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-01-12 US disclosed
EP-3106454-A1 METHOD FOR PRODUCING NOVEL ALICYCLIC ESTER COMPOUND, NOVEL ALICYCLIC ESTER COMPOUND, (METH)ACRYLIC COPOLYMER PRODUCED BY POLYMERIZING SAID COMPOUND, AND PHOTOSENSITIVE RESIN COMPOSITION USING SAID COPOLYMER Mitsubishi Gas Chemical Company, Inc. (JP) 2016-12-21 EP disclosed
EP-3106477-A1 (METH)ACRYLIC ACID ESTER COMPOUND AND PRODUCTION METHOD THEREFOR Mitsubishi Gas Chemical Company, Inc. (JP) 2016-12-21 EP disclosed
US-20160355461-A1 METHOD FOR PRODUCING NOVEL ALI CYCLIC ESTER COMPOUND, NOVEL ALICYCLIC ESTER COMPOUND, (METH)ACRYLIC COPOLYMER PRODUCED BY POLYMERIZING SAID COMPOUND, AND PHOTOSENSITIVE RESIN COMPOSITION USING SAID COPOLYMER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-12-08 US disclosed
US-9051256-B1 Process for producing hydroxy adamantane carboxylic acid compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-06-09 US disclosed
EP-1443363-B1 Photoresist composition DAICEL CHEM (JP) 2013-07-10 EP disclosed
EP-0999474-B1 Photoresist resin composition and method for forming a pattern DAICEL CHEM (JP) 2011-11-23 EP disclosed
US-RE39744-E1 Adamantane derivatives and process for producing them DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-24 US disclosed
EP-1602975-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2005-12-07 EP disclosed
EP-1443363-A2 Compounds for photoresist and resin composition for photoresist Daicel Chemical Industries, Ltd. (JP) 2004-08-04 EP disclosed
US-6392104-B1 CHEMICAL INTERMEDIATES FOR DRUGS, AGRICULTURE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-21 US disclosed
US-6391520-B1 ADAMANTANE COMPOUND OR POLYMER AND PHOTOACID GENERATORS; ETCHING RESISTANCE; SOLUBILIZABLE BY IRRADIATION WITH LIGHT; MINUTE PATTERNS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-21 US disclosed
EP-0999474-A1 COMPOUNDS FOR PHOTORESIST AND RESIN COMPOSITION FOR PHOTORESIST Daicel Chemical Industries, Ltd. (JP) 2000-05-10 EP disclosed
EP-0927711-A1 ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THEM Daicel Chemical Industries, Ltd. (JP) 1999-07-07 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-10005714-B2 (Meth)acrylic acid ester compound and production method therefor AMD1, ALDH7A1, TMEM164 PKM 4304/4885RAB9A 2973/4885SMN1; SMN2 4663/4885
US-20160355461-A1 METHOD FOR PRODUCING NOVEL ALI CYCLIC ESTER COMPOUND, NOVEL ALICYCLIC ESTER COMPOUND, (METH)ACRYLIC COPOLYMER PRODUCED BY POLYMERIZING SAID COMPOUND, AND PHOTOSENSITIVE RESIN COMPOSITION USING SAID COPOLYMER ASPH, LTA, TAS2R42 PKM 4687/4885RAB9A 2517/4885SMN1; SMN2 3281/4885
US-20170008830-A1 (METH)ACRYLIC ACID ESTER COMPOUND AND PRODUCTION METHOD THEREFOR AMD1, ALDH7A1, TMEM164 PKM 4331/4885RAB9A 2840/4885SMN1; SMN2 4653/4885

“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.