SCHEMBL24453722

SCHEMBL24453722

C=C1C(=O)O[C@@H]2[C@@H]1CCC1[C@H]2C(C)=CC[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.61
▸ PKM P14618 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ TP53 P04637 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ STAT6 P42226 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NLRP3 Q96P20 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL24453868 0.77 CYP19A1 (0.52) CYP19A1PKMALDH1A1MAPTMEN1
Eremanthin SCHEMBL9516039 0.70 CYP19A1 (0.56) CYP19A1PKMALDH1A1LMNATP53
Santamarin SCHEMBL2551388 0.68 PKM (0.48) CYP19A1PKMALDH1A1LMNATP53
Santamarin SCHEMBL22305508 0.68 PKM (0.48) CYP19A1PKMALDH1A1LMNATP53
Douglanin SCHEMBL30379418 0.68 PKM (0.48) CYP19A1PKMALDH1A1LMNATP53
SCHEMBL22354262 0.68 PKM (0.56) CYP19A1PKMALDH1A1LMNATP53
Cumambrin B SCHEMBL31055363 0.66 CYP19A1 (0.47) CYP19A1PKMALDH1A1LMNATP53
SCHEMBL21563384 0.65 CYP19A1 (0.40) CYP19A1PKMALDH1A1LMNATP53
SCHEMBL21563549 0.65 CYP19A1 (0.42) CYP19A1PKMALDH1A1MAPTMAPK1
SCHEMBL21563315 0.65 CYP19A1 (0.42) CYP19A1PKMALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220160804-A1 USE OF LAURUS NOBILIS EXTRACT FRACTIONS TO PROTECT AGAINST AIR POLLUTION RELATED DISEASES DSM IP ASSETS B.V. (NL) 2022-05-26 — — 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-20220160804-A1 USE OF LAURUS NOBILIS EXTRACT FRACTIONS TO PROTECT AGAINST AIR POLLUTION RELATED DISEASES NOS2, NOS1, NOS3 CYP19A1 738/4885PKM 2705/4885ALDH1A1 2502/4885

“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.

Send feedback