SCHEMBL1608125

SCHEMBL1608125

Cc1cc(C)c(N=CNc2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 14/20 0.44
▸ ALDH1A1 P00352 2/20 0.34
▸ FFAR4 Q5NUL3 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1608123 1.00 RAPGEF4 (0.44) RAPGEF4ALDH1A1FFAR4NPC1MAPT
Hydrochloric Acid SCHEMBL1608098 0.98 RAPGEF4 (0.43) RAPGEF4ALDH1A1FFAR4NPC1MAPT
Hydrochloric Acid SCHEMBL1608097 0.98 RAPGEF4 (0.43) RAPGEF4ALDH1A1FFAR4NPC1MAPT
SCHEMBL16034461 0.84 HTR1D (0.33) RAPGEF4ALDH1A1
SCHEMBL16034462 0.84 HTR1D (0.33) RAPGEF4ALDH1A1
SCHEMBL16077731 0.82 RAPGEF4 (0.36) RAPGEF4ALDH1A1
SCHEMBL1608671 0.81 RAPGEF4 (0.38) RAPGEF4ALDH1A1SMN1; SMN2
SCHEMBL11856863 0.78 RAPGEF4 (0.37) RAPGEF4ALDH1A1
SCHEMBL9501188 0.75 GRIN2D (0.43) ALDH1A1
SCHEMBL9501612 0.75 GRIN2D (0.43) ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216900-A1 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS THE U.S.A., AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-07-04 — — US disclosed
CN-117551142-A Organometallic complex, application, organic electroluminescent device and display device 京东方科技集团股份有限公司 2024-02-13 — — CN disclosed
US-9573125-B2 Functional N-heterocycles for solid-supported catalysis CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-02-21 — — US disclosed
EP-2217065-B1 PREPARATION OF SATURATED IMIDAZOLINIUM SALTS AND RELATED COMPOUNDS CALIFORNIA INST OF TECHN (US) 2016-10-12 — — EP disclosed
US-8703965-B2 Preparation of saturated imidazolinium salts and related compounds MATERIA, INC. (US) 2014-04-22 — — US disclosed
US-20140005036-A1 FUNCTIONAL N-HETEROCYCLES FOR SOLID-SUPPORTED CATALYSIS CALIFORNIA INSTITUTE OF TECHNOLOGY 2014-01-02 — — US disclosed
WO-2011059803-A2 RUTHENIUM-ALKYLIDENES CONTAINING ACYCLIC DIAMINOCARBENES FOR OBTAINING LOW E/Z RATIOS IN CROSS METATHESIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-05-19 — — WO disclosed
US-20110087032-A1 PREPARATION OF SATURATED IMIDAZOLINIUM SALTS AND RELATED COMPOUNDS MATERIA, INC. (US) 2011-04-14 — — US disclosed
EP-2217065-A1 PREPARATION OF SATURATED IMIDAZOLINIUM SALTS AND RELATED COMPOUNDS Materia, Inc. (US) 2010-08-18 — — EP disclosed
WO-2009062171-A1 PREPARATION OF SATURATED IMIDAZOLINIUM SALTS AND RELATED COMPOUNDS MATERIA, INC. (US) 2009-05-14 — — 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 (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-20240216900-A1 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS FABP7, FFAR1, FABP1 RAPGEF4 4067/4885ALDH1A1 4484/4885FFAR4 52/4885
US-20110087032-A1 PREPARATION OF SATURATED IMIDAZOLINIUM SALTS AND RELATED COMPOUNDS NISCH, INF2, DDT RAPGEF4 1358/4885ALDH1A1 4255/4885FFAR4 661/4885

“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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