SCHEMBL25815119

SCHEMBL25815119

CC(C)(C)c1ccc2c(c1)OCC(OCC=O)COc1ccc(C(C)(C)C)cc1OCC(OCC(=O)O)CO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
AIMP2 Q13155 2/20 0.37
TRPV1 Q8NER1 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
HSP90AA1 P07900 1/20 0.36
RECQL P46063 1/20 0.36
CXCR5 P32302 1/20 0.36
APLNR P35414 1/20 0.36
CCR6 P51684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL22134636 0.92 CYP19A1 (0.44) FFAR1PPARGPPARDCYP19A1ALDH1A1
SCHEMBL22134638 0.86 ALDH1A1 (0.41) FFAR1PPARGPPARDCYP19A1ALDH1A1
SCHEMBL25815122 0.85 ALDH1A1 (0.42) FFAR1PPARGPPARDCYP19A1ALDH1A1
SCHEMBL22134728 0.82 FFAR1 (0.39) FFAR1PPARGPPARDCYP19A1ALDH1A1
SCHEMBL25815359 0.76 ALDH1A1 (0.41) CYP19A1ALDH1A1NPC1RAB9ATRPV1
SCHEMBL25814633 0.74 CYP19A1 (0.36) CYP19A1ALDH1A1NPC1RAB9ATRPV1
SCHEMBL22134640 0.70 MAPT (0.38) ALDH1A1RAB9ATRPV1SMN1; SMN2MAPT
SCHEMBL25815480 0.70 TRPV1 (0.35) ALDH1A1AIMP2TRPV1SMN1; SMN2MAPT
SCHEMBL22134659 0.70 CYP19A1 (0.43) CYP19A1ALDH1A1NPC1RAB9AAIMP2
SCHEMBL25815406 0.69 CYP19A1 (0.38) CYP19A1ALDH1A1NPC1RAB9ATRPV1

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-20230219919-A1 LITHIUM EXTRACTION WITH CROWN ETHERS ORCA HOLDINGS, LLC 2023-07-13 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-20230219919-A1 LITHIUM EXTRACTION WITH CROWN ETHERS LCLAT1, LCT, IGF2R FFAR1 2063/4885PPARG 740/4885PPARD 1105/4885

“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.