SCHEMBL22459697

SCHEMBL22459697

Cc1cc(C2CCCCC2)ccc1-c1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
APP P05067 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
S1PR1 P21453 6/20 0.40
S1PR5 Q9H228 5/20 0.38
PDK2 Q15119 1/20 0.37
S1PR3 Q99500 3/20 0.36
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
DHODH Q02127 1/20 0.36
ACMSD Q8TDX5 1/20 0.34

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
SCHEMBL18411541 0.86 CYP3A4 (0.50) CYP3A4CYP2C9APPPDE3BPDE3A
SCHEMBL19803789 0.82 CYP3A4 (0.52) CYP3A4CYP2C9APPPDE3BPDE3A
SCHEMBL20989700 0.81 CYP2C9 (0.41) CYP3A4CYP2C9AKR1C3AKR1C2PDE3B
SCHEMBL19624876 0.81 HTR2A (0.46) CYP3A4CYP2C9APPPDK2KMT2A
SCHEMBL14525326 0.79 HSP90AA1 (0.46) CYP3A4CYP2C9APPS1PR1HSP90AA1
SCHEMBL23854348 0.79 ESR2 (0.45) CYP3A4CYP2C9APPS1PR1S1PR5
SCHEMBL19883163 0.79 S1PR1 (0.44) CYP3A4CYP2C9APPS1PR1S1PR5
SCHEMBL127034 0.79 ACMSD (0.44) CYP3A4CYP2C9PDK2HSP90AA1GAA
SCHEMBL23483046 0.78 ESR2 (0.45) CYP3A4CYP2C9APPS1PR1S1PR5
SCHEMBL14173389 0.77 SLC6A3 (0.42) CYP3A4CYP2C9APPAKR1C3AKR1C2

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-20200299578-A1 POLYMERIZABLE COMPOUND HAVING METHOXYMETHYL ACRYLIC GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-09-24 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-20200299578-A1 POLYMERIZABLE COMPOUND HAVING METHOXYMETHYL ACRYLIC GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, CCND1, CPNE4 CYP3A4 1084/4885CYP2C9 3951/4885APP 723/4885

“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.