SCHEMBL6907320

SCHEMBL6907320

CN(C)C(c1ccccc1O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
TSHR P16473 3/20 0.42
POLB P06746 2/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
CA2 P00918 2/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 2/20 0.33
BLM P54132 2/20 0.33
HIF1A Q16665 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
CA12 O43570 1/20 0.33
GMNN O75496 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
SCHEMBL11156660 0.74 GABRA1 (0.52) GABRA1GABRB2TSHRPOLBALDH1A1
SCHEMBL18262837 0.74 GABRA1 (0.58) GABRA1GABRB2TSHRPOLBALDH1A1
SCHEMBL6687058 0.73 GABRA1 (0.50) GABRA1GABRB2TSHRPOLBALDH1A1
SCHEMBL301684 0.73 GABRA1 (0.56) GABRA1GABRB2TSHRPOLBCRHBP
SCHEMBL3993342 0.71 GABRA1 (0.48) GABRA1GABRB2TSHRPOLBALDH1A1
SCHEMBL5918821 0.71 GABRA1 (0.54) GABRA1GABRB2TSHRPOLBCRHBP
SCHEMBL36796 0.71 GABRA1 (0.60) GABRA1GABRB2TSHRPOLBCRHBP
SCHEMBL27854739 0.69 GABRA1 (0.52) GABRA1GABRB2TSHRPOLBCRHBP
SCHEMBL3987454 0.69 GABRA1 (0.46) GABRA1GABRB2TSHRPOLBCRHBP
SCHEMBL12995993 0.67 GABRA1 (0.60) GABRA1GABRB2TSHRPOLBCRHBP

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-20040171864-A1 Fluorinated aromatics LANXESS DEUTSCHLAND GMBH (DE) 2004-09-02 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-20040171864-A1 Fluorinated aromatics AFF1, AFF2, AFF4 GABRA1 2475/4885GABRB2 3846/4885TSHR 2226/4885

“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.