SCHEMBL6445784

SCHEMBL6445784

O=C(Oc1cccc(Br)c1)C1(C(F)(F)F)CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
CYP1A2 P05177 4/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ATM Q13315 1/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
FAAH O00519 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL6445781 1.00 KMT2A (0.43) KMT2ACYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL6445669 0.84 ESR1 (0.41) KMT2ACYP1A2CYP2C9NPSR1CYP3A4
SCHEMBL6445680 0.84 ESR1 (0.41) KMT2ACYP1A2CYP2C9NPSR1CYP3A4
SCHEMBL6447006 0.84 RAB9A (0.36) KMT2ANPSR1GAAMAPTALDH1A1
SCHEMBL6447003 0.84 RAB9A (0.36) KMT2ANPSR1GAAMAPTALDH1A1
SCHEMBL6449983 0.83 LMNA (0.42) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL6449984 0.83 LMNA (0.42) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL6451511 0.83 TRPA1 (0.41) KMT2ATSHRFAAHTRPV1KDM4E
SCHEMBL6451505 0.83 TRPA1 (0.41) KMT2ATSHRFAAHTRPV1KDM4E
SCHEMBL6450044 0.82 L3MBTL1 (0.42) ATMGAAMAPTALDH1A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921832-B2 Optically active fluorine-containing compounds and processes for their production TOSOH CORPORATION (JP) 2005-07-26 US disclosed
US-20040147756-A1 Optically active fluorine-containing compounds and processes for their production TOSOH CORPORATION (JP) 2004-07-29 US disclosed
EP-1422226-A1 Optically active fluorine-containing compounds and processes for their production Tosoh Corporation (JP) 2004-05-26 EP 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-20040147756-A1 Optically active fluorine-containing compounds and processes for their production CYP2C19, CYP2F1, CYP2B6 KMT2A 1059/4885CYP1A2 69/4885CYP2C9 6/4885

“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.