SCHEMBL19002230

SCHEMBL19002230

CCCN(CC)c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
ESR1 P03372 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CRHR1 P34998 4/20 0.39
TSHR P16473 3/20 0.36
IGLV6-57 P01721 1/20 0.36
ACHE P22303 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL516401 0.91 CRHR1 (0.44) CYP3A4LMNAESR1ALDH1A1TP53
SCHEMBL21065755 0.89 CRHR1 (0.43) CYP3A4LMNAESR1ALDH1A1TP53
Lithium Ion SCHEMBL19732781 0.89 CRHR1 (0.43) CYP3A4LMNAESR1ALDH1A1TP53
Hydrochloric Acid SCHEMBL11023677 0.89 CRHR1 (0.43) CYP3A4LMNAESR1ALDH1A1TP53
SCHEMBL25271025 0.88 ALDH1A1 (0.45) CYP3A4LMNAESR1ALDH1A1TP53
Methanesulfonamide SCHEMBL11382859 0.88 ESR1 (0.47) CYP3A4LMNAESR1ALDH1A1TP53
SCHEMBL29520654 0.87 CYP3A4 (0.46) CYP3A4LMNAALDH1A1TP53TSHR
SCHEMBL328909 0.87 CYP3A4 (0.46) CYP3A4LMNAALDH1A1TP53TSHR
SCHEMBL25270983 0.86 ALDH1A1 (0.51) CYP3A4LMNAESR1ALDH1A1TP53
SCHEMBL25230838 0.85 ALDH1A1 (0.54) CYP3A4LMNAALDH1A1TP53CRHR1

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
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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 (1 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 CYP3A4 4589/4885LMNA 3509/4885ESR1 778/4885

“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.