SCHEMBL21099151

SCHEMBL21099151

CCCC(C)(CCC)c1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.41
ESR2 Q92731 4/20 0.41
RIPK1 Q13546 1/20 0.37
AR P10275 1/20 0.36
KCNN4 O15554 1/20 0.35
PDE2A O00408 1/20 0.35
CHRM3 P20309 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TRPA1 O75762 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31

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
SCHEMBL20866516 0.92 RIPK1 (0.39) ESR1ESR2RIPK1ARKCNN4
SCHEMBL18522890 0.84 CNR2 (0.40) ESR1ESR2RIPK1ARKCNN4
SCHEMBL22021976 0.83 ESR1 (0.38) ESR1ESR2ARPDE2A
SCHEMBL23219438 0.81 RIPK1 (0.36) ESR1ESR2RIPK1ARKCNN4
SCHEMBL22224487 0.79 ESR1 (0.41) ESR1ESR2ARHDAC3HDAC1
SCHEMBL22021978 0.79 TRPV4 (0.43) ESR1ESR2AR
SCHEMBL25101398 0.77 ESR1 (0.48) ESR1ESR2RIPK1ARKCNN4
SCHEMBL18935590 0.76 CNR2 (0.38)
SCHEMBL13496391 0.75 NPC1 (0.46) RIPK1KCNN4PDE2ACHRM3HDAC3
SCHEMBL21474515 0.74 CNR2 (0.54)

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-10323018-B2 Quinazoline and quinoline compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-06-18 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-10323018-B2 Quinazoline and quinoline compounds and uses thereof NAMPT, NQO2, NNMT ESR1 4639/4885ESR2 4031/4885RIPK1 999/4885

“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.