SCHEMBL21872201

SCHEMBL21872201

CC(C)c1ccc(C2CCCCCCCC2)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
PDK2 Q15119 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
NOTUM Q6P988 1/20 0.37
POLQ O75417 1/20 0.36
AR P10275 3/20 0.36
ACMSD Q8TDX5 2/20 0.36
APP P05067 1/20 0.35
BACE1 P56817 1/20 0.35
EPHX2 P34913 1/20 0.34
SOS1 Q07889 1/20 0.34
KMO O15229 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL13256359 0.98 HTR2A (0.42) HTR2APDK2PDE3BPDE3ANOTUM
SCHEMBL23080562 0.92 POLQ (0.41) HTR2APDK2PDE3BPDE3ANOTUM
SCHEMBL22561855 0.80 POLQ (0.37) HTR2APDE3BPDE3ANOTUMPOLQ
SCHEMBL21872092 0.79 APP (0.43) PDK2ACMSDAPPBACE1EPHX2
SCHEMBL13256372 0.79 ADCY8 (0.45) HTR2APDK2POLQARACMSD
SCHEMBL21872202 0.79 APP (0.43) PDK2ACMSDAPPBACE1EPHX2
SCHEMBL21241109 0.79 ACMSD (0.38) PDK2ACMSDAPPBACE1EPHX2
SCHEMBL21872033 0.79 APP (0.43) PDK2ACMSDAPPBACE1EPHX2
SCHEMBL13256360 0.79 ADCY8 (0.45) HTR2APDK2POLQARACMSD
SCHEMBL21940779 0.78 S1PR1 (0.41) HTR2APDK2ACMSDAPPBACE1

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-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS PHENEX-FXR GMBH (DE) 2020-04-16 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-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS NR1H2, NR1H3, NR1H4 HTR2A 1671/4885PDK2 3095/4885PDE3B 4235/4885

“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.