SCHEMBL15031067

SCHEMBL15031067

Cc1cc(C(C)C)c(Br)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRB1 P18505 3/20 0.39
LMNA P02545 4/20 0.37
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
TRPA1 O75762 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
BCHE P06276 1/20 0.31
CES1 P23141 1/20 0.31
S1PR1 P21453 1/20 0.31
GABRB2 P47870 1/20 0.30

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
SCHEMBL11422616 0.90 LMNA (0.41) GABRA1GABRB1LMNAPOLBGAA
SCHEMBL16308865 0.87 GABRA1 (0.41) GABRA1GABRB1LMNAPOLBGAA
SCHEMBL15978284 0.85 GABRA1 (0.39) GABRA1GABRB1LMNAPOLBGAA
SCHEMBL31017692 0.81 GABRA1 (0.44) GABRA1GABRB1LMNAPOLBGAA
SCHEMBL11048642 0.81 GABRA1 (0.44) GABRA1GABRB1LMNAPOLBGAA
SCHEMBL1335807 0.81 GABRA1 (0.48) GABRA1GABRB1LMNAPOLBGAA
SCHEMBL14924905 0.80 LMNA (0.41) GABRA1GABRB1LMNAPOLBGAA
SCHEMBL15044960 0.79 GABRA1 (0.35) GABRA1GABRB1LMNAPOLBGAA
SCHEMBL5530284 0.79 GABRA1 (0.45) GABRA1GABRB1LMNAGAATRPA1
SCHEMBL5529593 0.79 LMNA (0.53) GABRA1GABRB1LMNAGAATRPA1

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-10022389-B2 Prophylactic or therapeutic drug for constipation TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-07-17 US disclosed
US-20170096404-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-04-06 US disclosed
US-20150374735-A1 PROPHYLACTIC OR THERAPEUTIC DRUG FOR CONSTIPATION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-12-31 US disclosed
US-9161945-B2 4-isopropyl-6-methoxyphenyl glucitol compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-10-20 US disclosed
US-20130165645-A1 4-ISOPROPYL-6-METHOXYPHENYL GLUCITOL COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2013-06-27 US 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 (5 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 1517/4885LMNA 4212/4885
US-20150374735-A1 PROPHYLACTIC OR THERAPEUTIC DRUG FOR CONSTIPATION SLC5A1, SLC5A2, SLC10A2 GABRA1 1151/4885GABRB1 944/4885LMNA 3968/4885
US-20110306759-A1 4-ISOPROPYLPHENYL GLUCITOL COMPOUNDS AS SGLT1 INHIBITORS SLC5A1, SLC5A2, SLC2A4 GABRA1 2173/4885GABRB1 1584/4885LMNA 4286/4885
US-10022389-B2 Prophylactic or therapeutic drug for constipation SLC5A1, SLC5A2, SLC10A2 GABRA1 1151/4885GABRB1 944/4885LMNA 3968/4885
US-20170096404-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 GABRA1 1792/4885GABRB1 1657/4885LMNA 3419/4885

“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.