SCHEMBL10091308

SCHEMBL10091308

Cc1ccc(-c2ccc(-c3cccc(F)c3F)c(F)c2F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
PGR P06401 2/20 0.42
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
AKR1B10 O60218 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C1 Q04828 1/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
WDR5 P61964 1/20 0.40
DHODH Q02127 1/20 0.39
APP P05067 1/20 0.38
BACE1 P56817 1/20 0.38
ACHE P22303 1/20 0.38
PTPRC P08575 1/20 0.38
PTPN1 P18031 1/20 0.38
ALOX5AP P20292 1/20 0.38

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
SCHEMBL10091244 0.95 PGR (0.44) AKR1C3AKR1C2PGRBRD4CREBBP
SCHEMBL10091242 0.88 WDR5 (0.40) AKR1C3AKR1C2PGRBRD4CREBBP
SCHEMBL18069652 0.87 AKR1C3 (0.50) AKR1C3AKR1C2BRD4CREBBPAKR1B10
SCHEMBL10301561 0.84 TNKS2 (0.45) AKR1C3AKR1C2PGRBRD4CREBBP
SCHEMBL21374024 0.84 PTGS2 (0.46) PGRBRD4CREBBPTNKSTNKS2
SCHEMBL16852357 0.83 AKR1C3 (0.47) AKR1C3AKR1C2BRD4CREBBPAKR1B10
SCHEMBL11953549 0.81 ACHE (0.41) PDE3BPDE3AWDR5DHODHACHE
SCHEMBL22149192 0.80 BRD4 (0.44) AKR1C3AKR1C2BRD4CREBBPAKR1B10
SCHEMBL17570165 0.80 AKR1C3 (0.45) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL19935596 0.80 TNKS (0.54) AKR1C3AKR1C2BRD4CREBBPAKR1B10

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-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2012-01-26 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-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE ROCK2, ROCK1, LEF1 AKR1C3 810/4885AKR1C2 1521/4885PGR 4135/4885

“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.