SCHEMBL6722156

SCHEMBL6722156

OCCC#CCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.44
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
KCNH2 Q12809 2/20 0.40
CALM1 P0DP23 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
IDO1 P14902 2/20 0.34
THRB P10828 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
AKR1B1 P15121 1/20 0.34
HPGD P15428 1/20 0.34
SRR Q9GZT4 1/20 0.34

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
SCHEMBL6722509 0.87 KDM4E (0.44) TDP1TSHRFFAR1FFAR4KCNH2
SCHEMBL3888886 0.83 CALM1 (0.50) TDP1TSHRFFAR1FFAR4KCNH2
SCHEMBL8552668 0.82 TDP1 (0.58) TDP1TSHRFFAR1FFAR4KCNH2
SCHEMBL168228 0.81 TSHR (0.48) TDP1TSHRFFAR1FFAR4KCNH2
SCHEMBL4727720 0.80
SCHEMBL5700795 0.79 FFAR1 (0.49) TDP1FFAR1FFAR4KCNH2ALDH1A1
SCHEMBL3218912 0.77 KCNH2 (0.51) FFAR1FFAR4KCNH2CALM1
SCHEMBL7786785 0.77 KCNH2 (0.40) TSHRFFAR1FFAR4KCNH2CALM1
SCHEMBL6722153 0.77 FFAR1 (0.41) TSHRFFAR1FFAR4KCNH2CALM1
SCHEMBL10367266 0.77 IDO1 (0.44) TSHRFFAR1FFAR4KCNH2CALM1

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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 TDP1 2738/4885TSHR 1506/4885FFAR1 2393/4885

“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.