SCHEMBL6736827

SCHEMBL6736827

CCCCCc1ccc2cc3cc(C)c(F)c(F)c3cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.39
BDKRB2 P30411 1/20 0.37
TLR8 Q9NR97 5/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TACR2 P21452 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SHBG P04278 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSPD1 P10809 1/20 0.35
ADRB3 P13945 1/20 0.35

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
SCHEMBL6731145 0.96 SKP2 (0.43) SKP2BDKRB2CYP3A4
SCHEMBL6741865 0.90 CNR1 (0.38) SKP2BDKRB2
SCHEMBL6741483 0.87 HTR2A (0.39) BDKRB2TLR8S1PR1S1PR3ESR1
SCHEMBL6734816 0.86 TLR8 (0.43) BDKRB2TLR8S1PR1S1PR3ESR1
SCHEMBL6731904 0.85 TLR8 (0.40) BDKRB2TLR8S1PR1S1PR3ESR1
SCHEMBL6731242 0.85 TLR8 (0.40) BDKRB2TLR8S1PR1S1PR3
SCHEMBL6731773 0.85 TLR8 (0.42) SKP2BDKRB2TLR8S1PR1S1PR3
SCHEMBL6732184 0.85 TLR8 (0.42) SKP2BDKRB2TLR8S1PR1S1PR3
SCHEMBL6736855 0.84 CYP1A2 (0.46) KDM4EALDH1A1LMNA
SCHEMBL6731771 0.83 HTR2A (0.40) BDKRB2TLR8S1PR1S1PR3ESR1

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-6682785-B2 A FLUOROANTHRACENE COMPOUNDS; HEAT RESISTANCE, RADIATION RESISTANCE, PHOTOSTABILITY CLARIANT FINANCE (BVI) LIMITED (VG) 2004-01-27 US disclosed
US-20030118749-A1 A fluoroanthracene compounds; heat resistance, radiation resistance, photostability CLARIANT INTERNATIONAL LTD. 2003-06-26 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-20030118749-A1 A fluoroanthracene compounds; heat resistance, radiation resistance, photostability HSF1, ABCC1, FLNA SKP2 394/4885BDKRB2 3182/4885TLR8 3408/4885

“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.