SCHEMBL25814574

SCHEMBL25814574

CC(C)(C)c1ccc2c(c1)OCC(CO)COc1ccc(C(C)(C)C)cc1OCC(CO)CO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 2/20 0.39
AIMP2 Q13155 1/20 0.38
TRPV1 Q8NER1 7/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.38
CXCR5 P32302 1/20 0.38
APLNR P35414 1/20 0.38
CCR6 P51684 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 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
SCHEMBL22134742 0.93 TRPV1 (0.39) CYP19A1LTB4RLTB4R2RAB9ANPC1
SCHEMBL22134628 0.81 CYP19A1 (0.44) CYP19A1RAB9ANPC1ALDH1A1AIMP2
SCHEMBL9869995 0.81 HRH3 (0.42) CYP19A1RAB9ANPC1AIMP2MAPT
SCHEMBL11783090 0.81 NPC1 (0.42) CYP19A1RAB9ANPC1AIMP2MAPT
SCHEMBL23024716 0.80 CYP19A1 (0.46) CYP19A1RAB9ANPC1ALDH1A1AIMP2
SCHEMBL22134660 0.77 TRPV1 (0.37) CYP19A1LTB4RLTB4R2RAB9ANPC1
SCHEMBL25815539 0.76 CYP19A1 (0.34) CYP19A1LTB4RLTB4R2RAB9ANPC1
SCHEMBL22134641 0.75 TRPV1 (0.43) CYP19A1RAB9ANPC1ALDH1A1AIMP2
SCHEMBL84835 0.75 TRPV1 (0.49) RAB9ATRPV1MAPTMEN1TSHR
SCHEMBL85405 0.75 ALDH1A1 (0.52) ALDH1A1TRPV1MAPTLMNAHSP90AA1

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 4811/4885LTB4R 1191/4885LTB4R2 1776/4885

“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.