SCHEMBL6065796

SCHEMBL6065796

Cc1ccccc1C[NH2+]Cc1ccccc1C.Fc1ccc(F)c([B-](c2c(F)ccc(F)c2F)(c2c(F)ccc(F)c2F)c2c(F)ccc(F)c2F)c1F

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.37
ACHE P22303 1/20 0.34
RXFP1 Q9HBX9 1/20 0.31
P2RX7 Q99572 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SHBG P04278 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
SCHEMBL6065764 0.92 TAAR1 (0.36) TAAR1ACHERXFP1
SCHEMBL6066082 0.88 TAAR1 (0.37) TAAR1ACHERXFP1ALDH1A1SHBG
SCHEMBL6066164 0.86 MAPT (0.33)
SCHEMBL410284 0.85 TAAR1 (0.36) TAAR1ACHESHBG
SCHEMBL6066101 0.85 TAAR1 (0.35) TAAR1ACHESHBG
SCHEMBL6065440 0.84 TAAR1 (0.34) TAAR1ACHESHBG
SCHEMBL6064943 0.83 TAAR1 (0.34) TAAR1ACHESHBG
SCHEMBL6066134 0.82 TSHR (0.32)
SCHEMBL6065706 0.81 TAAR1 (0.34) TAAR1ACHESHBG
SCHEMBL6066110 0.80 TAAR1 (0.33) TAAR1

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 TAAR1 1511/4885ACHE 3735/4885RXFP1 1364/4885

“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.