SCHEMBL21678034

SCHEMBL21678034

N#Cc1ccc([C@H]2C[C@@H](F)CCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.35
KDM1A O60341 1/20 0.35
BACE1 P56817 2/20 0.35
LRRK2 Q5S007 4/20 0.35
CYP2D6 P10635 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL21677893 1.00 CYP19A1 (0.35) CYP19A1KDM1ABACE1LRRK2CYP2D6
SCHEMBL28935583 0.84 MAOA (0.39) CYP19A1
SCHEMBL20719816 0.78 SLC6A2 (0.40) KDM1A
SCHEMBL21677966 0.78 TSHR (0.48) KDM1ACYP2D6
SCHEMBL13014690 0.76 KCNH2 (0.44) CYP19A1
SCHEMBL27478102 0.75 KIF11 (0.34) CYP19A1BACE1
SCHEMBL9906430 0.75 KCNH2 (0.46) CYP19A1
SCHEMBL1226208 0.73 TSHR (0.50) CYP19A1KDM1A
SCHEMBL1225841 0.73 TSHR (0.50) CYP19A1KDM1A
SCHEMBL1225840 0.73 TSHR (0.50) CYP19A1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210275998-A1 CATALYSTS, METHODS OF MAKING, AND METHODS OF HYDROFLUORINATION UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2021-09-09 US disclosed
WO-2020023354-A1 CATALYSTS, METHODS OF MAKING, AND METHODS OF HYDROFLUORINATION UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2020-01-30 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 (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-20210275998-A1 CATALYSTS, METHODS OF MAKING, AND METHODS OF HYDROFLUORINATION FLI1, EWSR1, KRAS CYP19A1 566/4885KDM1A 891/4885BACE1 2430/4885

“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.