SCHEMBL20909666

SCHEMBL20909666

CC(C)c1ccc(C(=O)I)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.42
RORC P51449 1/20 0.41
S1PR1 P21453 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
KIF11 P52732 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PDE2A O00408 1/20 0.36
HTT P42858 2/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL5874054 0.85 ACE2 (0.51) NOTUMRORCS1PR1PDE3BPDE3A
SCHEMBL13107113 0.85 KIF11 (0.47) NOTUMRORCS1PR1PDE3BPDE3A
SCHEMBL13122740 0.83 NOTUM (0.42) NOTUMRORCS1PR1PDE3BPDE3A
SCHEMBL16952204 0.81 NOTUM (0.41) NOTUMRORCS1PR1PDE3BPDE3A
SCHEMBL3903297 0.81 NOTUM (0.59) NOTUMRORCS1PR1PDE3BPDE3A
SCHEMBL13122739 0.81 ERN1 (0.42) NOTUMRORCS1PR1PDE3BPDE3A
SCHEMBL13122959 0.81 S1PR1 (0.44) NOTUMRORCS1PR1HDAC8HTT
SCHEMBL13122952 0.80 NPSR1 (0.56) NOTUMRORCS1PR1HDAC8CYP1A2
SCHEMBL15314434 0.77 ADCY8 (0.43) NOTUMS1PR1KIF11HTTRAB9A
SCHEMBL13122743 0.77 PDK2 (0.45) RORCS1PR1HTTRAB9ACYP1A2

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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT NOTUM 2494/4885RORC 3744/4885S1PR1 3707/4885

“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.