SCHEMBL1132147

SCHEMBL1132147

Cc1cc(C(=O)OC(C)(C)C)ccc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.51
CHRNG P07510 1/20 0.51
CHRNB1 P11230 1/20 0.51
CHRNB2 P17787 1/20 0.51
SLC6A2 P23975 1/20 0.51
CHRNB4 P30926 1/20 0.51
SLC6A4 P31645 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51
SLC6A3 Q01959 1/20 0.51
CHRND Q07001 1/20 0.51
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 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
SCHEMBL7839920 0.94 CHRNA1 (0.47) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3527319 0.86 LMNA (0.51) CA12CA1CA2CA9CA14
SCHEMBL13948752 0.84 GABRA1 (0.48) CA12CA1CA2CA9CA14
SCHEMBL1028144 0.83 ALOX15 (0.48) CA12CA1CA2CA9CA14
SCHEMBL17495245 0.83 CA12 (0.46) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL2609133 0.83 CA12 (0.50) CA12CA1CA2CA9CA14
SCHEMBL24619898 0.81 CA12 (0.45) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL15557828 0.81 STAT3 (0.47) CA12CA1CA2CA9CA14
SCHEMBL29388368 0.81 CA12 (0.45) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL17864531 0.81 CA12 (0.45) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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 177 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114044905-B Preparation method of end-group functionalized polydimethylsiloxane 复旦大学 2023-01-06 CN claimed
CN-114044905-A Preparation method of end group functionalized polydimethylsiloxane 复旦大学 2022-02-15 CN claimed
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2025-04-10 US disclosed
EP-3233842-B1 BICYCLOHETEROARYL-HETEROARYL-BENZOIC ACID COMPOUNDS AS RETINOIC ACID RECEPTOR BETA (RARB) AGONISTS KING S COLLEGE LONDON (GB) 2025-03-26 EP disclosed
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders ARDELYX, INC. (US) 2025-01-28 US disclosed
EP-3431480-B1 DIARYLAMINE-BASED FLUOROGENIC PROBES FOR DETECTION OF PEROXYNITRITE UNIV HONG KONG (CN) 2024-07-03 EP disclosed
EP-3431480-B1 DIARYLAMINE-BASED FLUOROGENIC PROBES FOR DETECTION OF PEROXYNITRITE UNIV HONG KONG (CN) 2024-07-03 EP disclosed
EP-2970342-B1 SUBSTITUTED SILAXANTHENIUM RED TO NEAR-INFRARED FLUOROCHROMES FOR IN VITRO AND IN VIVO IMAGING AND DETECTION VISEN MEDICAL INC (US) 2024-01-24 EP disclosed
CN-116854681-A Hormone receptor modulators for the treatment of metabolic conditions and disorders 阿德利克斯股份有限公司 2023-10-10 CN disclosed
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 US disclosed
EP-1429759-A4 COMPOUNDS USEFUL FOR TREATING HEPATITUS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
US-6770666-B2 A THERAPEUTIC AGENT FOR TREATING HEPATITIS C, BASED ON POLYMERASE INHIBITORY ACTIVITY JAPAN TOBACCO INC. (JP) 2004-08-03 US disclosed
EP-1429759-A2 COMPOUNDS USEFUL FOR TREATING HEPATITUS C VIRUS Bristol-Myers Squibb Company (US) 2004-06-23 EP disclosed
US-20040097438-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2004-05-20 US disclosed
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US disclosed
EP-1400241-A1 FUSED CYCLIC COMPOUNDS AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-03-24 EP disclosed
US-20030134853-A1 Compounds useful for treating hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2003-07-17 US disclosed
WO-2003026587-A2 COMPOUNDS USEFUL FOR TREATING HEPATITUS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 WO disclosed
US-20030050320-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2003-03-13 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 (8 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-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 CHRNA1 1927/4885CHRNG 1641/4885CHRNB1 2178/4885
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor HAVCR2, ZC3HAV1, POLR1C CHRNA1 4795/4885CHRNG 4861/4885CHRNB1 4836/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 CHRNA1 4231/4885CHRNG 4694/4885CHRNB1 4359/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C CHRNA1 4657/4885CHRNG 4818/4885CHRNB1 4825/4885
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders NR1H4, FXR1, GLP1R CHRNA1 1259/4885CHRNG 1428/4885CHRNB1 2209/4885
US-20040097438-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, SLC10A1 CHRNA1 4651/4885CHRNG 4799/4885CHRNB1 4830/4885
US-20030134853-A1 Compounds useful for treating hepatitis C virus OAT, HAVCR2, GOT1 CHRNA1 4606/4885CHRNG 4640/4885CHRNB1 4703/4885
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R CHRNA1 1259/4885CHRNG 1428/4885CHRNB1 2209/4885

“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.