SCHEMBL5269240

SCHEMBL5269240

CCN(Cc1cccc(OCc2ccccc2)c1)c1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 7/20 0.61
▸ ALOX5 P09917 2/20 0.54
▸ MAOB P27338 2/20 0.48
▸ CETP P11597 1/20 0.47
▸ INSR P06213 1/20 0.46
▸ IGF1R P08069 1/20 0.46
▸ CYP4F2 P78329 1/20 0.46
▸ CYP4A11 Q02928 1/20 0.46
▸ PTGES O14684 2/20 0.46
▸ NOX1 Q9Y5S8 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ LTC4S Q16873 1/20 0.45

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
SCHEMBL5268659 0.88 ALOX5 (0.55) BCHEALOX5MAOBINSRIGF1R
SCHEMBL10592238 0.81 BCHE (0.61) BCHEMAOBCYP4F2CYP4A11NOX1
SCHEMBL1747380 0.77 FFAR1 (0.58) MAOBNOX1
SCHEMBL10674486 0.75 ALOX5 (0.73) BCHEALOX5MAOB
SCHEMBL11682291 0.75 TSHR (0.62) BCHECETPTSHR
SCHEMBL10592227 0.75 BCHE (0.54) BCHEMAOBNOX1TSHR
SCHEMBL11677532 0.74 BCHE (0.53) BCHEMAOBNOX1
SCHEMBL6313150 0.74 INSR (0.65) BCHEALOX5INSRIGF1RTSHR
SCHEMBL11438494 0.73 TERT (0.59) BCHEINSRIGF1RTSHR
SCHEMBL29919654 0.73 TERT (0.59) BCHEINSRIGF1RTSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074539-B1 Process for producing optically active 3,3,3,-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL CO (JP) 2007-10-17 — — EP disclosed
US-6894190-B2 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 — — US disclosed
US-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2003-12-18 — — US disclosed
US-6653507-B2 Useful intermediate compound of pharmaceuticals for urinary incontinence SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-11-25 — — US disclosed
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2002-10-03 — — US disclosed
US-6403832-B1 MIXING ACID WITH AMINE, PRECIPITATING SALT, AND FILTERING; GOOD OPTICAL PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-11 — — US disclosed
EP-1074539-A2 Process for producing optically active 3,3,3,-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-07 — — 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 (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-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, CYP8B1, CYP11B2 BCHE 1984/4885ALOX5 163/4885MAOB 376/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 BCHE 2684/4885ALOX5 111/4885MAOB 263/4885

“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.

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