Santamarin

Santamarin

SCHEMBL22305508

C=C1C(=O)OC2C1CCC1(C)C(O)CC=C(C)C21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 10/20 0.48
▸ CYP19A1 P11511 3/20 0.48
▸ NLRP3 Q96P20 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ TP53 P04637 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ NFKB1 P19838 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ STAT6 P42226 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ HTT P42858 1/20 0.44

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
Santamarin SCHEMBL2551388 1.00 PKM (0.48) PKMCYP19A1NLRP3ALDH1A1LMNA
Douglanin SCHEMBL30379418 1.00 PKM (0.48) PKMCYP19A1NLRP3ALDH1A1LMNA
Reynosin SCHEMBL1683363 0.79 PKM (0.51) PKMCYP19A1NLRP3ALDH1A1LMNA
Reynosin SCHEMBL1683362 0.79 PKM (0.51) PKMCYP19A1NLRP3ALDH1A1LMNA
Reynosin SCHEMBL28633984 0.79 PKM (0.51) PKMCYP19A1NLRP3ALDH1A1LMNA
Ludovicin B SCHEMBL31237900 0.78 PKM (0.47) PKMCYP19A1NLRP3ALDH1A1LMNA
SCHEMBL21214112 0.76 ESR2 (0.34) CYP19A1
SCHEMBL22235454 0.76 PKM (0.52) PKMCYP19A1NLRP3ALDH1A1LMNA
SCHEMBL17085505 0.76 PKM (0.52) PKMCYP19A1NLRP3ALDH1A1LMNA
SCHEMBL30613096 0.74 CYP19A1 (0.57) CYP19A1ALDH1A1CYP3A4CYP1A2MEN1

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-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
WO-2020156908-A1 USE OF LAURUS NOBILIS EXTRACT FRACTIONS TO PROTECT AGAINST AIR POLLUTION RELATED DISEASES DSM IP ASSETS B.V. (NL) 2020-08-06 — — 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-20220160804-A1 USE OF LAURUS NOBILIS EXTRACT FRACTIONS TO PROTECT AGAINST AIR POLLUTION RELATED DISEASES NOS2, NOS1, NOS3 PKM 2705/4885CYP19A1 738/4885NLRP3 404/4885

“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