SCHEMBL23391007

SCHEMBL23391007

COc1ccc2c(c1)c(CC(=O)F)c(C)n2C(=O)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.83
CYP1A2 P05177 2/20 0.83
CYP2D6 P10635 2/20 0.83
CYP2C9 P11712 2/20 0.83
HIF1A Q16665 2/20 0.83
NPSR1 Q6W5P4 2/20 0.83
TSHR P16473 1/20 0.83
NFKB1 P19838 1/20 0.83
PLA2G2A P14555 1/20 0.80
AKR1C3 P42330 11/20 0.73
AKR1C2 P52895 8/20 0.73
PTGS2 P35354 5/20 0.68
AKR1C4 P17516 2/20 0.68
AKR1C1 Q04828 2/20 0.68
KDM4E B2RXH2 1/20 0.68
MEN1 O00255 1/20 0.68
PTGES O14684 1/20 0.68
ABCC3 O15438 1/20 0.68
ABCC4 O15439 1/20 0.68
ABCB11 O95342 1/20 0.68

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
SCHEMBL1082631 0.91 HIF1A (1.00) LMNACYP1A2CYP2D6CYP2C9HIF1A
Hydrochloric Acid SCHEMBL8646699 0.90 HIF1A (0.98) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL12949361 0.87 LMNA (0.80) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL11520081 0.85 PTGS1 (0.80) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL10909072 0.85 PTGS2 (0.83) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL8645594 0.85 AKR1C3 (1.00) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL5646377 0.84 HIF1A (0.87) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL10802123 0.84 LMNA (0.76) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL11522535 0.84 LMNA (0.76) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL5796934 0.83 AKR1C3 (1.00) LMNACYP1A2CYP2D6CYP2C9HIF1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210155561-A1 METHOD AND REAGENT FOR DEOXYFLUORINATION SOUTH DAKOTA BOARD OF REGENTS (US) 2021-05-27 US disclosed
US-20210155561-A1 METHOD AND REAGENT FOR DEOXYFLUORINATION SOUTH DAKOTA BOARD OF REGENTS (US) 2021-05-27 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-20210155561-A1 METHOD AND REAGENT FOR DEOXYFLUORINATION PFAS, FIBP, NPFFR2 LMNA 3916/4885CYP1A2 2635/4885CYP2D6 3471/4885

“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.