SCHEMBL4698142

SCHEMBL4698142

CC(C)(CO)C(O)c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.55
SLC6A2 P23975 12/20 0.51
SLC6A4 P31645 12/20 0.51
SLC6A3 Q01959 12/20 0.51
CYP2D6 P10635 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
AOC3 Q16853 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
ATM Q13315 1/20 0.47
VNN1 O95497 1/20 0.46
KCNH2 Q12809 7/20 0.44
CYP3A4 P08684 2/20 0.44

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
SCHEMBL5350784 0.80 RIPK1 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6AOC3
SCHEMBL5865842 0.78 UGT2B7 (0.57) UGT2B7SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL703634 0.77 AOC3 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6AOC3
SCHEMBL11358484 0.74 UGT2B7 (0.57) UGT2B7SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL30559175 0.74 UGT2B7 (0.57) UGT2B7SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5865834 0.74 UGT2B7 (0.57) UGT2B7SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL16567657 0.74 UGT2B7 (0.57) UGT2B7SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL11988223 0.74 CYP2D6 (0.57) UGT2B7SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL1548351 0.73 AOC3 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6AOC3
SCHEMBL4609324 0.72 KDM4E (0.58) UGT2B7SLC6A2SLC6A4SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346988-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2,3-DIHYDRO- BENZOFURAN COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-11-12 EP disclosed
US-7420070-B2 Process for preparing optically active 2,3-dihydrobenzofuran compounds TAKODA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-02 US disclosed
US-20050171184-A1 Process for preparing optically active 2,3-dihydrobenzofuran compounds AOKI ISAO (JP) 2005-08-04 US disclosed
US-6878831-B2 Process for preparing optically active 2,3-dihydrobenzofuran compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-04-12 US disclosed
US-20040077712-A1 Process for preparing optically active 2,3-dihydrobenzofuran compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US disclosed
EP-1346988-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2,3-DIHYDRO- BENZOFURAN COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-09-24 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-20050171184-A1 Process for preparing optically active 2,3-dihydrobenzofuran compounds ALDH1A2, DHPS, DHODH UGT2B7 910/4885SLC6A2 3578/4885SLC6A4 3758/4885
US-20040077712-A1 Process for preparing optically active 2,3-dihydrobenzofuran compounds ALDH1A2, PARK7, DHPS UGT2B7 850/4885SLC6A2 3520/4885SLC6A4 3687/4885

“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.