SCHEMBL25150684

SCHEMBL25150684

CC(C)c1ccc(CC(C)(C)O)nc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
NPC1 O15118 2/20 0.32
LMNA P02545 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
CCR6 P51684 1/20 0.31
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
SCHEMBL13547890 0.87 ESR1 (0.40) ESR1ESR2PRMT5WDR77NPC1
SCHEMBL22768844 0.80 ESR1 (0.41) ESR1ESR2CYP2C9PRMT5WDR77
SCHEMBL5102670 0.77 ESR1 (0.44) ESR1ESR2PRMT5WDR77NPC1
SCHEMBL21385482 0.76 CYP19A1 (0.33) ESR1ESR2
SCHEMBL2077948 0.76 ESR1 (0.47) ESR1ESR2LMNA
SCHEMBL19782445 0.76 KDM4E (0.38) RAB9A
SCHEMBL6919625 0.76 CCR1 (0.41) RAB9AMAPT
SCHEMBL30189703 0.76 KDM4E (0.38) RAB9A
SCHEMBL19107508 0.75 ESR1 (0.37) ESR1ESR2PRMT5WDR77NPC1
SCHEMBL2604908 0.75 ESR1 (0.42) ESR1ESR2CYP2D6PRMT5WDR77

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-11634425-B2 Pharmaceutical compounds PFIZER INC. (US) 2023-04-25 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-11634425-B2 Pharmaceutical compounds GABRA6, CHRNA6, CNR1 ESR1 1851/4885ESR2 1331/4885CYP2D6 111/4885

“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.