SCHEMBL96275

SCHEMBL96275

CC#CC(O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
CACNA2D1 P54289 1/20 0.52
CACNB2 Q08289 1/20 0.52
CACNA1C Q13936 1/20 0.52
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 1/20 0.44
LMNA P02545 4/20 0.43
ADRA2C P18825 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ADRA2A P08913 1/20 0.41
HIF1A Q16665 1/20 0.41
FFAR1 O14842 1/20 0.41
CHRM2 P08172 1/20 0.39
ADRA1A P35348 1/20 0.39
RGS12 O14924 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL9547891 0.85 TSHR (0.64) TSHRCACNA2D1CACNB2CACNA1CALDH1A1
SCHEMBL28347779 0.85 CACNA2D1 (0.61) TSHRCACNA2D1CACNB2CACNA1CALDH1A1
SCHEMBL9856659 0.80 CACNA2D1 (0.66) TSHRCACNA2D1CACNB2CACNA1CALDH1A1
SCHEMBL19254173 0.79 CACNA2D1 (0.55) TSHRCACNA2D1CACNB2CACNA1CALDH1A1
SCHEMBL10703179 0.78 PTGS1 (0.54) TSHRALDH1A1FFAR1CYP2D6MEN1
SCHEMBL9619367 0.78 TSHR (0.56) TSHRCACNA2D1CACNB2CACNA1CALDH1A1
SCHEMBL9663066 0.77 FFAR1 (0.47) TSHRMAPK1LMNAHIF1AFFAR1
SCHEMBL23996119 0.76 TSHR (0.54) TSHRCACNA2D1CACNB2CACNA1CALDH1A1
SCHEMBL9389599 0.76 TSHR (0.60) TSHRCACNA2D1CACNB2CACNA1CALDH1A1
SCHEMBL9996023 0.76 TSHR (0.60) TSHRCACNA2D1CACNB2CACNA1CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117126118-A Synthesis method of celecoxib 上海应用技术大学 2023-11-28 CN claimed
US-20250270210-A1 BCL-2 Inhibitor BEIGENE, LTD. (KY) 2025-08-28 US disclosed
CN-117126118-B Ground-substituting test Synthesis method of shake 上海应用技术大学 2025-07-25 CN disclosed
US-12286430-B2 Bcl-2 inhibitor BEIGENE, LTD. (KY) 2025-04-29 US disclosed
US-20240376097-A1 BCL-2 Inhibitor BEIGENE LTD. (KY) 2024-11-14 US disclosed
CN-117126118-A Synthesis method of celecoxib 上海应用技术大学 2023-11-28 CN disclosed
CN-117126118-A Synthesis method of celecoxib 上海应用技术大学 2023-11-28 CN disclosed
CN-116969937-A BCL-2 inhibitors 百济神州有限公司 2023-10-31 CN disclosed
CN-116969936-A BCL-2 inhibitors 百济神州有限公司 2023-10-31 CN disclosed
CN-116802179-A BCL-2 inhibitors 百济神州有限公司 2023-09-22 CN disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO 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 (7 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-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 TSHR 194/4885CACNA2D1 505/4885CACNB2 1004/4885
US-20250270210-A1 BCL-2 Inhibitor BCL2, BCL2A1, BCL2L1 TSHR 4278/4885CACNA2D1 3313/4885CACNB2 1881/4885
US-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB TSHR 3439/4885CACNA2D1 4478/4885CACNB2 2871/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 TSHR 110/4885CACNA2D1 4461/4885CACNB2 4052/4885
US-20240376097-A1 BCL-2 Inhibitor BCL2, BCL2A1, BCL2L1 TSHR 4278/4885CACNA2D1 3313/4885CACNB2 1881/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TSHR 110/4885CACNA2D1 4461/4885CACNB2 4052/4885
US-12286430-B2 Bcl-2 inhibitor BCL2, BCL2A1, BCL2L1 TSHR 4278/4885CACNA2D1 3313/4885CACNB2 1881/4885

“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.