SCHEMBL15031073

SCHEMBL15031073

CC(C)c1cc(O)c(Br)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.48
GABRB1 P18505 4/20 0.48
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
GABRB2 P47870 4/20 0.40
LMNA P02545 3/20 0.40
SLC6A2 P23975 2/20 0.40
HTR2B P41595 2/20 0.40
TRPA1 O75762 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA1A P35348 1/20 0.40
ALOX15 P16050 2/20 0.38
ALOX12 P18054 1/20 0.38
FAAH O00519 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GABRG2 P18507 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL5385858 0.91 GABRA1 (0.48) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL16736689 0.86 GABRA1 (0.48) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL6643213 0.82 ACHE (0.46) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL5002736 0.81 GABRA1 (0.48) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL31017692 0.79 GABRA1 (0.44) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL11048642 0.79 GABRA1 (0.44) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL1335807 0.79 GABRA1 (0.48) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL5530284 0.77 GABRA1 (0.45) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL16736711 0.77 ALOX15 (0.41) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL1493936 0.77 POLB (0.49) GABRA1GABRB1

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
US-20220306630-A1 AGONISTS OF ROR GAMMAt BRISTOL MYERS SQUIBB CO (US) 2022-09-29 US disclosed
US-9161945-B2 4-isopropyl-6-methoxyphenyl glucitol compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-10-20 US disclosed
EP-2607360-B1 4-Isopropyl-6-methoxyphenyl glucitol compound TAISHO PHARMACEUTICAL CO LTD (JP) 2015-08-19 EP disclosed
US-20130165645-A1 4-ISOPROPYL-6-METHOXYPHENYL GLUCITOL COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2013-06-27 US disclosed
EP-2607360-A1 4-ISOPROPYL-6-METHOXYPHENYL GLUCITOL COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2013-06-26 EP disclosed
US-8466113-B2 4-isopropylphenyl glucitol compounds as SGLT1 inhibitors TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-18 US disclosed
US-20110306759-A1 4-ISOPROPYLPHENYL GLUCITOL COMPOUNDS AS SGLT1 INHIBITORS TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-12-15 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 (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-20130165645-A1 4-ISOPROPYL-6-METHOXYPHENYL GLUCITOL COMPOUND SLC5A1, SLC5A2, SLC2A4 GABRA1 2128/4885GABRB1 1517/4885CA1 4169/4885
US-20110306759-A1 4-ISOPROPYLPHENYL GLUCITOL COMPOUNDS AS SGLT1 INHIBITORS SLC5A1, SLC5A2, SLC2A4 GABRA1 2173/4885GABRB1 1584/4885CA1 3112/4885
US-20220306630-A1 AGONISTS OF ROR GAMMAt RORB, RORA, RORC GABRA1 145/4885GABRB1 135/4885CA1 2575/4885

“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.