SCHEMBL5933481

SCHEMBL5933481

CCCOCCOCCCNCCCOCCOCCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
THRB P10828 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 2/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SAT1 P21673 1/20 0.35
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL5933088 0.97 TSHR (0.48) TSHRALDH1A1KMT2AMEN1THRB
SCHEMBL5933329 0.95 TSHR (0.46) TSHRALDH1A1KMT2AMEN1THRB
SCHEMBL5932501 0.95 TSHR (0.46) TSHRALDH1A1KMT2AMEN1THRB
SCHEMBL11895165 0.92 TSHR (0.43) TSHRALDH1A1KMT2AMEN1THRB
SCHEMBL5933610 0.92 TSHR (0.50) TSHRALDH1A1KMT2AMEN1THRB
SCHEMBL5932563 0.90 TSHR (0.52) TSHRALDH1A1KMT2AMEN1THRB
SCHEMBL5933548 0.90 TSHR (0.52) TSHRALDH1A1KMT2AMEN1THRB
SCHEMBL14930298 0.87 TSHR (0.55) TSHRALDH1A1KMT2AMEN1THRB
SCHEMBL5932698 0.87 TSHR (0.43) TSHRALDH1A1KMT2AMEN1THRB
SCHEMBL5933116 0.87 TSHR (0.50) TSHRALDH1A1KMT2AMEN1THRB

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-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus MITSUI CHEMICALS, INC. (JP) 2006-04-27 US disclosed
EP-1484191-A1 REWRITABLE OPTICAL INFORMATION RECORDING MEDIUM AND RECORDING/REPRODUCING METHOD, RECORDING/REPRODUCING DEVICE Sony Corporation (JP) 2004-12-08 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-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus ALPG, TRPC6, GNRHR TSHR 1237/4885ALDH1A1 2071/4885KMT2A 606/4885

“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.