SCHEMBL25815539

SCHEMBL25815539

CC(O)CC1COc2cc(C(C)(C)C)ccc2OCC(CC(C)(C)O)COc2cc(C(C)(C)C)ccc2OC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
AIMP2 Q13155 2/20 0.33
TRPV1 Q8NER1 6/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
CXCR5 P32302 1/20 0.32
APLNR P35414 1/20 0.32
CCR6 P51684 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
HSP90AA1 P07900 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL22134660 0.86 TRPV1 (0.37) CYP19A1NPC1RAB9ALTB4RLTB4R2
SCHEMBL25814574 0.76 CYP19A1 (0.42) CYP19A1NPC1RAB9ALTB4RLTB4R2
SCHEMBL22134628 0.71 CYP19A1 (0.44) CYP19A1NPC1RAB9AAIMP2TRPV1
SCHEMBL22134742 0.70 TRPV1 (0.39) CYP19A1NPC1RAB9ALTB4RLTB4R2
SCHEMBL25815137 0.70 CYP19A1 (0.38) CYP19A1NPC1RAB9AAIMP2TRPV1
SCHEMBL23024716 0.69 CYP19A1 (0.46) CYP19A1NPC1RAB9AAIMP2TRPV1
SCHEMBL20021532 0.67 EPM2A (0.34) CYP19A1NPC1RAB9ALTB4RLTB4R2
SCHEMBL21101055 0.66 ALDH1A1 (0.47) CYP19A1NPC1RAB9AAIMP2MAPT
SCHEMBL9869995 0.65 HRH3 (0.42) CYP19A1NPC1RAB9AAIMP2MAPT
SCHEMBL22134641 0.65 TRPV1 (0.43) CYP19A1NPC1RAB9AAIMP2TRPV1

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 CYP19A1 4811/4885NPC1 583/4885RAB9A 2052/4885

“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.