SCHEMBL24252081

SCHEMBL24252081

CCCCC(C)(C)c1ccc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.35
RORC P51449 1/20 0.34
CNR2 P34972 1/20 0.34
KCNN4 O15554 1/20 0.34
RIPK1 Q13546 2/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADRA1A P35348 1/20 0.34
CYP51A1 Q16850 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
HDAC6 Q9UBN7 3/20 0.33
NR3C2 P08235 1/20 0.33
HDAC3 O15379 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
SCHEMBL24836099 0.93 CNR2 (0.42) SOAT1CNR2
SCHEMBL18649480 0.89 RIPK1 (0.39) RORCKCNN4RIPK1LMNAHSP90AA1
SCHEMBL30838744 0.84 CNR1 (0.37) CNR2KCNN4RIPK1LMNAHSP90AA1
SCHEMBL12981794 0.83 MAPT (0.35) CNR2ALDH1A1
SCHEMBL17552743 0.81 RIPK1 (0.41) RORCKCNN4RIPK1LMNAHSP90AA1
SCHEMBL19965715 0.81 SOAT1 (0.34) SOAT1CNR2KCNN4RIPK1LMNA
SCHEMBL19965762 0.81 CNR2 (0.40) CNR2RIPK1SLC6A2SLC6A4NR3C2
SCHEMBL12980946 0.80 KIF11 (0.43) CNR2RIPK1
SCHEMBL12981040 0.79 KIF11 (0.42) NR3C2ALDH1A1
SCHEMBL25458297 0.79 KCNN4 (0.37) KCNN4RIPK1LMNAHSP90AA1CYP3A4

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-20220048915-A1 Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2022-02-17 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-20220048915-A1 Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof MAPK11, WEE1, NOS1 SOAT1 328/4885RORC 2067/4885CNR2 915/4885

“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.