SCHEMBL5599137

SCHEMBL5599137

CC1(C)CCC(Cc2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.31
ATP1A1 P05023 1/20 0.30
ATP1B1 P05026 1/20 0.30
ATP1A3 P13637 1/20 0.30
ATP1B2 P14415 1/20 0.30
ATP1A2 P50993 1/20 0.30
ATP1B3 P54709 1/20 0.30
FXYD2 P54710 1/20 0.30
ATP1A4 Q13733 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
SCHEMBL7253127 0.87 CYP1A2 (0.31)
SCHEMBL19047257 0.69 KIF11 (0.49)
SCHEMBL29693296 0.68 ALDH1A1 (0.43) CCR5
SCHEMBL11312892 0.64 L3MBTL1 (0.40)
SCHEMBL15431213 0.64 TDP1 (0.47)
SCHEMBL15431203 0.64 DPP4 (0.35)
SCHEMBL17930268 0.63 TAAR1 (0.37)
SCHEMBL5371426 0.63 HSD11B1 (0.48)
SCHEMBL3465721 0.62 ACHE (0.50)
SCHEMBL994958 0.61 ACHE (0.45)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1312605-B1 Method for producing biaryl compounds SUMITOMO CHEMICAL CO (JP) 2007-04-25 EP disclosed
US-7122711-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-20030158419-A1 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-21 US disclosed
EP-1312605-A1 Method for producing biaryl compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-21 EP 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-20030158419-A1 Method for producing biaryl compound B2M, BMI1, CYP2W1 CCR5 919/4885ATP1A1 3181/4885ATP1B1 2216/4885

“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.