SCHEMBL6065802

SCHEMBL6065802

C[NH+](C)Cc1ccccc1.Fc1ccc(F)c([B-](c2c(F)ccc(F)c2F)(c2c(F)ccc(F)c2F)c2c(F)ccc(F)c2F)c1F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.35
TP53 P04637 1/20 0.33
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6065768 0.89 HTT (0.35) KDM1ATP53
SCHEMBL6066084 0.87 TP53 (0.33) KDM1ATP53ALDH1A1KDM4ESMN1; SMN2
SCHEMBL410285 0.84 TP53 (0.37) TP53
SCHEMBL6066103 0.84 TP53 (0.35) TP53
SCHEMBL6066166 0.84 TP53 (0.35) KDM1ATP53KDM4E
SCHEMBL6065443 0.81
SCHEMBL6064941 0.81 MRGPRX4 (0.32)
SCHEMBL6064946 0.80 TP53 (0.33) TP53
SCHEMBL30087015 0.79 TP53 (0.32) TP53
SCHEMBL6065707 0.78

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-7101940-B2 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins BASELL POLYOLEFINE GMBH (DE) 2006-09-05 US disclosed
US-20030013913-A1 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins EQUISTAR CHEMICALS, LP 2003-01-16 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-20030013913-A1 Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins SCO2, CNOT1, CYC1 KDM1A 2142/4885TP53 4472/4885ALDH1A1 1134/4885

“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.