SCHEMBL5276346

SCHEMBL5276346

CCc1c(C(C)C)nnn1C(C)C

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5278505 0.84
SCHEMBL5281901 0.83 ALDH1A1 (0.30) ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL26214423 0.82
SCHEMBL5278616 0.81 MAOB (0.31)
SCHEMBL5284488 0.79
SCHEMBL5273356 0.77 GRIA1 (0.33)
SCHEMBL5281595 0.77 GABRB3 (0.35) ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL5277554 0.77 GABRB3 (0.35) ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL5281341 0.75 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL5275884 0.75 GRIA1 (0.37) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287341-A1 GENETICALLY MODIFIED CELL LINES EXPRESSING AN EXOGENOUS SUBSTANCE AND USES THEREOF SIGILON THERAPEUTICS, INC. 2023-09-14 US disclosed
US-20230045277-A1 COMPOUNDS, POLYMERS, DEVICES, AND USES THEREOF SIGILON THERAPEUTICS, INC. 2023-02-09 US disclosed
US-10844090-B2 Hemiasterlin derivatives for conjugation and therapy SUTRO BIOPHARMA, INC. (US) 2020-11-24 US disclosed
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 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 (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-10844090-B2 Hemiasterlin derivatives for conjugation and therapy CYP17A1, HSD17B7, SHBG ALDH1A1 1882/4885CYP1A2 776/4885CYP2C19 2167/4885
US-20230045277-A1 COMPOUNDS, POLYMERS, DEVICES, AND USES THEREOF PAH, BMP2, COL2A1 ALDH1A1 1058/4885CYP1A2 361/4885CYP2C19 82/4885
US-20230287341-A1 GENETICALLY MODIFIED CELL LINES EXPRESSING AN EXOGENOUS SUBSTANCE AND USES THEREOF ZFX, XPA, CTCF ALDH1A1 1825/4885CYP1A2 3887/4885CYP2C19 4544/4885

“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.