SCHEMBL2153533

SCHEMBL2153533

CC(C)c1ccccc1C(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 1/20 0.50
GABRA1 P14867 4/20 0.48
GABRB2 P47870 2/20 0.48
LMNA P02545 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
SLC6A2 P23975 2/20 0.44
FAAH O00519 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HPGD P15428 1/20 0.44
PTGS1 P23219 1/20 0.44
HTR2C P28335 1/20 0.44
GABRA5 P31644 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
SCHEMBL6905434 0.87 ALDH1A1 (0.47) ALDH1A1ALOX15GABRA1GABRB2TSHR
SCHEMBL10627679 0.85 ALDH1A1 (0.45) ALDH1A1ALOX15GABRA1GABRB2TSHR
SCHEMBL8095510 0.85 ALDH1A1 (0.45) ALDH1A1ALOX15GABRA1GABRB2TSHR
SCHEMBL27972403 0.84 GABRA1 (0.43) ALDH1A1ALOX15GABRA1GABRB2LMNA
SCHEMBL5485697 0.84 GABRA1 (0.43) ALDH1A1ALOX15GABRA1GABRB2LMNA
SCHEMBL1536722 0.84 GABRA1 (0.43) ALDH1A1ALOX15GABRA1GABRB2LMNA
SCHEMBL8087127 0.82 TSHR (0.55) ALDH1A1ALOX15GABRA1GABRB2TSHR
SCHEMBL8124164 0.82 GABRA1 (0.48) GABRA1GABRB2LMNAGABRB1GABRG2
SCHEMBL4667818 0.82 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRCA1CA2
SCHEMBL1148330 0.81 GABRA1 (0.52) ALDH1A1ALOX15GABRA1GABRB2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2024-12-19 US disclosed
US-12116351-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2024-10-15 US disclosed
US-20220380322-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2022-12-01 US disclosed
US-11434207-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2022-09-06 US disclosed
CN-108863959-B P2X4 receptor antagonists 日本化学药品株式会社 2021-11-30 CN disclosed
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2020-07-16 US disclosed
CN-111333588-A P2X4 receptor antagonists 日本化学药品株式会社 2020-06-26 CN disclosed
US-10633349-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2020-04-28 US disclosed
CN-104066724-B P2X4 receptor antagonists 日本化学药品株式会社 2020-04-17 CN disclosed
WO-2019175112-A1 NOVEL PHOTO-INITIATORS AND THEIR APPLICATION ETH ZURICH (CH) 2019-09-19 WO disclosed
US-5789440-A 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents WARNER-LAMBERT COMPANY (US) 1998-08-04 US disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0729464-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed
WO-1995014012-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
EP-0327166-B1 NOVEL HMG-COA REDUCTASE INHIBITORS Merck & Co., Inc. (US) 1992-12-30 EP disclosed
US-4946864-A ANTICHOLESTEROL, ANTILIPEMIC AGENTS MERCK & CO., INC. (US) 1990-08-07 US disclosed
EP-0327166-A1 Novel HMG-COA reductase inhibitors MERCK & CO. INC. (US) 1989-08-09 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 (6 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-20220380322-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 ALDH1A1 3019/4885ALOX15 1857/4885GABRA1 216/4885
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 ALDH1A1 3045/4885ALOX15 2387/4885GABRA1 194/4885
US-12116351-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 ALDH1A1 3019/4885ALOX15 1857/4885GABRA1 216/4885
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 ALDH1A1 3019/4885ALOX15 1857/4885GABRA1 216/4885
US-11434207-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 ALDH1A1 3019/4885ALOX15 1857/4885GABRA1 216/4885
US-10633349-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 ALDH1A1 3019/4885ALOX15 1857/4885GABRA1 216/4885

“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.