SCHEMBL6946790

SCHEMBL6946790

C=Cc1ccc(C(c2ccc(C=C)cc2)c2ccc(C=C)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 2/20 0.41
HDAC8 Q9BY41 2/20 0.40
TYR P14679 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
CYP19A1 P11511 2/20 0.32
TP53 P04637 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
TRPA1 O75762 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL7524035 0.90 ALDH1A1 (0.59) ALDH1A1TSHRTDP1HDAC8
SCHEMBL5480680 0.82 SLC2A1 (0.53) ALDH1A1TSHRTDP1TP53
SCHEMBL7639 0.80 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HDAC8TAS1R3
SCHEMBL473081 0.80 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HDAC8TAS1R3
SCHEMBL30083976 0.80 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HDAC8TYR
SCHEMBL19273327 0.80 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HDAC8TYR
SCHEMBL8992223 0.80 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HDAC8TYR
SCHEMBL17249485 0.78 ALDH1A1 (0.45) ALDH1A1TSHRTDP1HDAC8
SCHEMBL1264527 0.78 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HDAC8TYR
SCHEMBL367595 0.78 TYR (0.58) ALDH1A1TSHRTDP1HDAC8TYR

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
WO-2003104304-A1 METHOD FOR MAKING SILOXANE POLYMERS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2003-12-18 WO disclosed
US-20030232951-A1 Preparation of low loss optical material from difunctional silyl enol ethers and difunctional silanols AUSTRALIAN NATIONAL UNIVERSITY, THE (AU) 2003-12-18 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-20030232951-A1 Preparation of low loss optical material from difunctional silyl enol ethers and difunctional silanols CNKSR1, CCNL2, SAAL1 ALDH1A1 461/4885TSHR 3837/4885TDP1 4316/4885

“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.