SCHEMBL438579

SCHEMBL438579

CCCCC(O)C(=O)OO

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.48
FFAR1 O14842 1/20 0.48
CA2 P00918 3/20 0.45
CA1 P00915 2/20 0.45
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.40
NAAA Q02083 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL11317376 0.93 GPR84 (0.57) GPR84FFAR1CA1NAAAZDHHC7
SCHEMBL27513859 0.91 GPR84 (0.61) GPR84FFAR1NAAAZDHHC7
SCHEMBL5676266 0.91 GPR84 (0.61) GPR84FFAR1NAAAZDHHC7
SCHEMBL18171894 0.91 GPR84 (0.61) GPR84FFAR1NAAAZDHHC7
SCHEMBL27765058 0.91 GPR84 (0.61) GPR84FFAR1NAAAZDHHC7
SCHEMBL27968449 0.86 GPR84 (0.55) GPR84FFAR1NAAAZDHHC7
SCHEMBL27392642 0.86
SCHEMBL8463037 0.84 CA2 (0.57) CA2CA1TSHRCYP3A4ATM
SCHEMBL6663357 0.84 GPR84 (0.50) GPR84FFAR1CA2CA1TSHR
Glycerin SCHEMBL5583303 0.83 GPR84 (0.52) GPR84FFAR1ZDHHC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102295579-A Synthesis process for (R)-4-cyano-3-hydroxybutyric acid ethyl ester ANQING JINQUAN PHARM CO LTD 2011-12-28 CN claimed
CN-101821404-A Microbial kinetic resolution of ethyl 3, 4-epoxybutyrate AGENCY SCIENCE TECH & RES 2010-09-01 CN claimed
US-20240100810-A1 RESIN COMPOSITION, OPTICAL LAMINATE, OPTICAL ARTICLE, LENS AND EYEGLASSES TOKUYAMA CORPORATION (JP) 2024-03-28 US disclosed
CN-115916463-A Microspheres containing polymerizable functional groups 株式会社德山 2023-04-04 CN disclosed
CN-115768746-A Compound for optical material, curable composition, cured product, and optical article 株式会社德山 2023-03-07 CN disclosed
US-11578174-B2 Polyrotaxane, production method therefor, and optical composition containing said polyrotaxane TOKUYAMA CORPORATION (JP) 2023-02-14 US disclosed
US-20230029768-A1 PROCESS FOR PRODUCING CYCLOHEXANOL AND CYCLOHEXANONE BASF SE (DE) 2023-02-02 US disclosed
CN-115428128-A Hollow microspheres 株式会社德山 2022-12-02 CN disclosed
EP-4077252-A1 PROCESS FOR PRODUCING CYCLOHEXANOL AND CYCLOHEXANONE BASF SE (DE) 2022-10-26 EP disclosed
CN-114845983-A Process for preparing cyclohexanol and cyclohexanone 巴斯夫欧洲公司 2022-08-02 CN disclosed
CN-111154056-B Optical composition containing polyrotaxane 株式会社德山 2021-12-21 CN disclosed
US-20120101009-A1 CYCLOHEXANE OXIDATION PROCESS BYPRODUCT STREAM DERIVATIVES AND METHODS FOR USING THE SAME INVISTA NORTH AMERICA S.A.R.L. (US) 2012-04-26 US disclosed
US-20120064252-A1 CYCLOHEXANE OXIDATION PROCESS BYPRODUCT DERIVATIVES AND METHODS FOR USING THE SAME INVISTA NORTH AMERICA S.A.R.L. (US) 2012-03-15 US disclosed
CN-102295579-A Synthesis process for (R)-4-cyano-3-hydroxybutyric acid ethyl ester ANQING JINQUAN PHARM CO LTD 2011-12-28 CN disclosed
EP-2376422-A1 CYCLOHEXANE OXIDATION PROCESS BYPRODUCT STREAM DERIVATIVES AND METHODS FOR USING THE SAME Invista Technologies S.A R.L. (CH) 2011-10-19 EP disclosed
EP-2376421-A1 CYCLOHEXANE OXIDATION PROCESS BYPRODUCT DERIVATIVES AND METHODS FOR USING THE SAME Invista Technologies S.A R.L. (CH) 2011-10-19 EP disclosed
CN-101821404-A Microbial kinetic resolution of ethyl 3, 4-epoxybutyrate AGENCY SCIENCE TECH & RES 2010-09-01 CN disclosed
WO-2010071761-A1 CYCLOHEXANE OXIDATION PROCESS BYPRODUCT STREAM DERIVATIVES AND METHODS FOR USING THE SAME INVISTA TECHNOLOGIES S.A.R.L. (CH) 2010-06-24 WO disclosed
WO-2010071759-A1 CYCLOHEXANE OXIDATION PROCESS BYPRODUCT DERIVATIVES AND METHODS FOR USING THE SAME INVISTA TECHNOLOGIES S.A.R.L. (CH) 2010-06-24 WO disclosed
US-6313316-B1 2,5-BIS(ISOCYANATOALKYLTHIOALKYL)-1,4-DITHIAN DERIVATIVES; HIGH REFRACTIVE INDEX; HEAT RESISTANCE, RADIATION TRANSPARENT; OPTICAL FILTERS AND FIBERS; EYEGLASSES HOYA CORPORATION (JP) 2001-11-06 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 (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-20120101009-A1 CYCLOHEXANE OXIDATION PROCESS BYPRODUCT STREAM DERIVATIVES AND METHODS FOR USING THE SAME DECR1, SIGMAR1, NOP2 GPR84 2616/4885FFAR1 6/4885CA2 1649/4885

“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.