SCHEMBL5268659

SCHEMBL5268659

CCN(Cc1ccc(OCc2ccccc2)cc1)c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ TSPO P30536 2/20 0.53
▸ NOX1 Q9Y5S8 1/20 0.52
▸ BCHE P06276 3/20 0.50
▸ CNR2 P34972 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ PTGS1 P23219 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ RAB9A P51151 1/20 0.47
▸ INSR P06213 1/20 0.47
▸ IGF1R P08069 1/20 0.47
▸ ACHE P22303 1/20 0.46
▸ MAOB P27338 1/20 0.46

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
SCHEMBL5269240 0.88 BCHE (0.61) ALOX5NOX1BCHETSHRINSR
SCHEMBL1747380 0.88 FFAR1 (0.58) L3MBTL1TSPONOX1MAOB
SCHEMBL6795389 0.81 MAOB (0.64) ALOX5L3MBTL1TSPONOX1BCHE
SCHEMBL11268094 0.80 NOX1 (0.74) ALOX5L3MBTL1NOX1BCHECNR2
SCHEMBL27864414 0.78 ALOX5 (0.58) ALOX5NOX1BCHEPTGS1PTGS2
SCHEMBL6313150 0.78 INSR (0.65) ALOX5BCHECNR2TSHRINSR
SCHEMBL10674486 0.76 ALOX5 (0.73) ALOX5L3MBTL1BCHERAB9AMAOB
SCHEMBL1746786 0.75 FFAR1 (0.63) —
SCHEMBL11438494 0.74 TERT (0.59) L3MBTL1BCHECNR2TSHRRAB9A
SCHEMBL29919654 0.74 TERT (0.59) L3MBTL1BCHECNR2TSHRRAB9A

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 ALOX5 163/4885L3MBTL1 4870/4885TSPO 1606/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 ALOX5 111/4885L3MBTL1 4844/4885TSPO 1753/4885

“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.

Send feedback