SCHEMBL7054521

SCHEMBL7054521

CN(C)c1ccc(C[O])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.64
▸ TSHR P16473 5/20 0.64
▸ MAPK1 P28482 4/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ TDP1 Q9NUW8 2/20 0.64
▸ HSD17B10 Q99714 3/20 0.58
▸ ALOX15 P16050 2/20 0.58
▸ APP P05067 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ CYP2A13 Q16696 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ CALM1 P0DP23 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
SCHEMBL4473781 0.82 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL250522 0.80 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL7547741 0.80 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL21909725 0.79 ALDH1A1 (0.64) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL76217 0.78 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL4405018 0.78 ALDH1A1 (0.70) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL12679051 0.78 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL4475565 0.77 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL65261 0.76 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL5358862 0.76 ALDH1A1 (0.37) ALDH1A1TSHRCYP3A4TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019046-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM (US) 2002-11-27 — — EP claimed
US-20020049316-A1 Protease inhibitors HALBERT STACIE MARIE (US) 2002-04-25 — — US claimed
EP-1019046-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-07-19 — — EP claimed
WO-1998048799-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 — — WO claimed
US-20240116845-A1 INDENE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS NUCMITO PHARMACEUTICALS CO LTD (CN) 2024-04-11 — — US disclosed
US-20180358655-A1 ADDITIVE FOR NON-AQUEOUS ELECTROLYTE, NON-AQUEOUS ELECTROLYTE, AND POWER STORAGE DEVICE SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2018-12-13 — — US disclosed
EP-3279995-A1 ADDITIVE FOR NON-AQUEOUS ELECTROLYTE, NON-AQUEOUS ELECTROLYTE, AND POWER STORAGE DEVICE Sumitomo Seika Chemicals CO. LTD. (JP) 2018-02-07 — — EP disclosed
US-20170117588-A1 ADDITIVE FOR NON-AQUEOUS ELECTROLYTE, NON-AQUEOUS ELECTROLYTE, AND POWER STORAGE DEVICE SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2017-04-27 — — US disclosed
EP-3131153-A1 ADDITIVE FOR NON-AQUEOUS ELECTROLYTE, NON-AQUEOUS ELECTROLYTE, AND POWER STORAGE DEVICE Sumitomo Seika Chemicals Co., Ltd. (JP) 2017-02-15 — — EP disclosed
CN-1714079-A Mandelic acid derivatives HOFFMANN LA ROCHE (CH) 2005-12-28 — — CN disclosed
EP-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 — — EP disclosed
EP-1019046-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM (US) 2002-11-27 — — EP disclosed
EP-0476646-A1 Calcium uptake inhibitors MERRELL PHARMACEUTICALS INC. (US) 1992-03-25 — — EP disclosed
EP-0476645-A1 Calcium uptake inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1992-03-25 — — EP disclosed
EP-0476658-A1 1-Phenyl-3-phenyl-2-propyne-1-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1992-03-25 — — EP disclosed
US-4701452-A STIMULANTS; ANTIBIOTICS HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-20 — — US disclosed
EP-0152860-A2 Use of cephalosporin compounds for the manufacture of a medicament for the modulation of the immunologic system HOECHST AKTIENGESELLSCHAFT (DE) 1985-08-28 — — EP disclosed
US-4454129-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1984-06-12 — — US disclosed
EP-0064256-A2 Cephalosporin derivatives and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1982-11-10 — — EP disclosed
US-4332809-A ANTIALLERGENS TANABE SEIYAKU CO., LTD. (JP) 1982-06-01 — — 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-20020049316-A1 Protease inhibitors CTSK, CTSZ, CTSG ALDH1A1 2831/4885TSHR 3737/4885MAPK1 1027/4885
US-20180358655-A1 ADDITIVE FOR NON-AQUEOUS ELECTROLYTE, NON-AQUEOUS ELECTROLYTE, AND POWER STORAGE DEVICE SLC9A1, SLC8A1, SLC9A2 ALDH1A1 371/4885TSHR 3005/4885MAPK1 260/4885
US-20240116845-A1 INDENE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS MMP1, IDO1, COL1A1 ALDH1A1 120/4885TSHR 4419/4885MAPK1 3381/4885

“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.

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