SCHEMBL24228697

SCHEMBL24228697

C=CCCC1CCc2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.57
HTR1A P08908 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
ACHE P22303 1/20 0.48
HTR2C P28335 3/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL8668552 0.86 CYP19A1 (0.58) CYP19A1HTR1ASIGMAR1ACHEHTR2C
SCHEMBL9534253 0.84 CYP19A1 (0.55) CYP19A1HTR1ASIGMAR1ACHEHTR2C
SCHEMBL7305594 0.81 CYP19A1 (0.50) CYP19A1HTR1ASIGMAR1ACHEHTR2C
SCHEMBL17320387 0.80 METAP1 (0.46) CYP19A1
Hydrochloric Acid SCHEMBL9425957 0.80 CYP19A1 (0.49) CYP19A1HTR1ASIGMAR1ACHEHTR2C
SCHEMBL6689014 0.80 CYP19A1 (0.61) CYP19A1HTR1ASIGMAR1ACHEHTR2C
SCHEMBL6694407 0.80 CYP19A1 (0.61) CYP19A1HTR1ASIGMAR1ACHEHTR2C
SCHEMBL11026228 0.78 CYP19A1 (0.49) CYP19A1HTR1ASIGMAR1ACHEALDH1A1
SCHEMBL15904627 0.77 CYP24A1 (0.59) CYP19A1SIGMAR1HTR2C
SCHEMBL8668547 0.77 CYP19A1 (0.58) CYP19A1HTR1ASIGMAR1ACHEHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018145-A1 POLYCYCLIC CAP-DEPENDENT ENDONUCLEASE INHIBITORS FOR TREATING OR PREVENTING INFLUENZA MERCK SHARP & DOHME LLC (US) 2024-01-18 US disclosed
US-20240018145-A1 POLYCYCLIC CAP-DEPENDENT ENDONUCLEASE INHIBITORS FOR TREATING OR PREVENTING INFLUENZA MERCK SHARP & DOHME LLC (US) 2024-01-18 US disclosed
WO-2022026285-A1 POLYCYCLIC CAP-DEPENDENT ENDONUCLEASE INHIBITORS FOR TREATING OR PREVENTING INFLUENZA MERCK SHARP & DOHME CORP. (US) 2022-02-03 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-20240018145-A1 POLYCYCLIC CAP-DEPENDENT ENDONUCLEASE INHIBITORS FOR TREATING OR PREVENTING INFLUENZA DNASE1, RNASEH1, RNASE1 CYP19A1 2558/4885HTR1A 4375/4885SIGMAR1 4181/4885

“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.