SCHEMBL451225

SCHEMBL451225

C1CCC2C(C1)SC1CCCCC12

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL23912273 0.97 MAPK1 (0.46) MAPK1
SCHEMBL17808362 0.93 MAPK1 (0.41) MAPK1
SCHEMBL22043708 0.93 MAPK1 (0.41) MAPK1
SCHEMBL15281172 0.86 MAPK1 (0.35) MAPK1
SCHEMBL7224887 0.81
SCHEMBL15907943 0.81 MAPK1 (0.56) MAPK1ALDH1A1HSD17B10
SCHEMBL7232312 0.81 MAPK1 (0.56) MAPK1ALDH1A1HSD17B10
SCHEMBL18643579 0.81
SCHEMBL862038 0.81
SCHEMBL3075445 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113861128-A Polymerizable compound and optically anisotropic body 江苏创拓新材料有限公司 2021-12-31 CN claimed
EP-3729442-A1 MOLECULE-BASED EQUATION ORIENTED REACTOR SIMULATION SYSTEM AND ITS MODEL REDUCTION Aspen Technology, Inc. (US) 2020-10-28 EP claimed
US-20190228843-A1 Molecule-Based Equation Oriented Reactor Simulation System And Its Model Reduction JPMORGAN CHASE BANK, N.A., AS ADMINISTRATIVE AGENT 2019-07-25 US claimed
EP-1852420-B1 Indole compounds for treating respiratory disorders ONO PHARMACEUTICAL CO (JP) 2012-10-17 EP claimed
US-20250349883-A1 MODIFIED SULFIDE SOLID ELECTROLYTE AND PRODUCTION METHOD THEREFOR, AND ELECTRODE COMPOSITE MATERIAL AND LITHIUM ION BATTERY IDEMITSU KOSAN CO.,LTD. (JP) 2025-11-13 US disclosed
US-20250316750-A1 MODIFIED SULFIDE SOLID ELECTROLYTE, PRODUCTION METHOD FOR SAME, ELECTRODE MIXTURE, AND LITHIUM-ION BATTERY IDEMITSU KOSAN CO.,LTD. (JP) 2025-10-09 US disclosed
CN-119547157-A Modified sulfide solid electrolyte, manufacturing method thereof, electrode composite material and lithium ion battery 出光兴产株式会社 2025-02-28 CN disclosed
CN-119404261-A Modified sulfide solid electrolyte, manufacturing method thereof, electrode composite material and lithium ion battery 出光兴产株式会社 2025-02-07 CN disclosed
CN-114605350-B Polymerizable compound, polymerizable composition containing same, and optically anisotropic body 江苏创拓新材料有限公司 2024-09-13 CN disclosed
WO-2024024824-A1 MODIFIED SULFIDE SOLID ELECTROLYTE, PRODUCTION METHOD FOR SAME, ELECTRODE MIXTURE, AND LITHIUM-ION BATTERY 出光興産株式会社 2024-02-01 WO disclosed
WO-2024024825-A1 MODIFIED SULFIDE SOLID ELECTROLYTE AND PRODUCTION METHOD THEREFOR, AND ELECTRODE COMPOSITE MATERIAL AND LITHIUM ION BATTERY 出光興産株式会社 2024-02-01 WO disclosed
WO-2024013275-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2024-01-18 WO disclosed
US-20040077643-A1 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-22 US disclosed
EP-1405848-A1 TETRAHYDROQUINOLINE DERIVATIVE COMPOUND AND DRUG CONTAINING THE COMPOUND AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP disclosed
US-20040063936-A1 Pyrimidine derivatives and process for preparing the same ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1378509-A1 DRUGS CONTAINING TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-07 EP disclosed
EP-1346985-A1 PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP disclosed
EP-1306373-A1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-02 EP disclosed
EP-1236726-A1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-09-04 EP disclosed
EP-1215203-A1 HYDROXAMIC ACID DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-06-19 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 (2 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-20040063936-A1 Pyrimidine derivatives and process for preparing the same DPYD, NUDT1, UMPS MAPK1 400/4885ALDH1A1 134/4885HSD17B10 2590/4885
US-20040077643-A1 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, TRPV1 MAPK1 196/4885ALDH1A1 2167/4885HSD17B10 3830/4885

“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.