SCHEMBL25814539

SCHEMBL25814539

Cc1cc(CCl)c(C(C)(C)C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.35
CYP2C9 P11712 5/20 0.34
CYP2C19 P33261 5/20 0.34
CYP1A2 P05177 2/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
HIF1A Q16665 4/20 0.34
CYP2D6 P10635 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CA2 P00918 2/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
TP53 P04637 3/20 0.32
MAPT P10636 2/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
ALOX15 P16050 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ATP2A2 P16615 1/20 0.32
ATP2A3 Q93084 1/20 0.32

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
SCHEMBL11720817 0.82 KDM4E (0.30) KDM4EMAPK1PON1RAB9AKMT2A
SCHEMBL26853007 0.77 HSPA5 (0.39) HSPA5CYP2C9CYP2C19CYP1A2SMN1; SMN2
SCHEMBL5598488 0.77 PON1 (0.36) CYP1A2HIF1AHSD17B10ALDH1A1MAPT
SCHEMBL6063365 0.72 ALDH1A1 (0.39) CYP1A2HIF1AHSD17B10ALDH1A1MAPT
SCHEMBL442987 0.72 ALDH1A1 (0.42) CYP1A2HIF1AHSD17B10ALDH1A1MAPT
SCHEMBL2758301 0.71 HTR1D (0.40) CYP1A2CYP2D6ALDH1A1KDM4ETSHR
SCHEMBL312190 0.71 MAPT (0.31) MAPT
SCHEMBL11812079 0.70 HSPA5 (0.33) HSPA5PON1
SCHEMBL21941802 0.69 CYP2C9 (0.42) HSPA5CYP2C9CYP2C19CYP1A2SMN1; SMN2
SCHEMBL14761235 0.69 ALDH1A1 (0.34) ALDH1A1TP53PTGS1PTGS2HTT

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-20230219919-A1 LITHIUM EXTRACTION WITH CROWN ETHERS ORCA HOLDINGS, LLC 2023-07-13 US disclosed
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 HSPA5 2716/4885CYP2C9 3292/4885CYP2C19 4642/4885

“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.