SCHEMBL24453868

SCHEMBL24453868

C=C1C(=O)O[C@@H]2[C@@H]1C[C@@H](C)C1[C@H]2C(C)=CC[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.52
▸ PTGS2 P35354 1/20 0.36
▸ KDR P35968 1/20 0.35
▸ TAS2R46 P59540 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ TERT O14746 2/20 0.34
▸ RECQL P46063 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ AGTR1 P30556 1/20 0.34
▸ HTT P42858 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
SCHEMBL24453722 0.77 CYP19A1 (0.61) CYP19A1PTGS2TAS2R46TDP1TERT
SCHEMBL30634018 0.66 CYP19A1 (0.47) CYP19A1PTGS2KDRTAS2R46TDP1
Eremanthin SCHEMBL9516039 0.66 CYP19A1 (0.56) CYP19A1PTGS2TAS2R46TDP1TERT
Cumambrin B SCHEMBL31055363 0.64 CYP19A1 (0.47) CYP19A1PTGS2TDP1TERTRECQL
SCHEMBL21563549 0.63 CYP19A1 (0.42) CYP19A1TDP1TERTRECQLPKM
SCHEMBL21563315 0.63 CYP19A1 (0.42) CYP19A1TDP1TERTRECQLPKM
Santamarin SCHEMBL22305508 0.62 PKM (0.48) CYP19A1PTGS2PKMMAPTRAB9A
Santamarin SCHEMBL2551388 0.62 PKM (0.48) CYP19A1PTGS2PKMMAPTRAB9A
Douglanin SCHEMBL30379418 0.62 PKM (0.48) CYP19A1PTGS2PKMMAPTRAB9A
SCHEMBL22305507 0.61 PKM (0.41) CYP19A1PTGS2PKMMAPTRAB9A

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 738/4885PTGS2 85/4885KDR 1419/4885

“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.

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