SCHEMBL16108461

SCHEMBL16108461

O=C(O)C1(c2ccccc2-c2ccccc2C2(C(=O)O)CCCCC2P(c2ccccc2)c2ccccc2)CCCCC1P(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AKR1C1 Q04828 1/20 0.37
PDK2 Q15119 3/20 0.36
KMT2A Q03164 1/20 0.33
APEX1 P27695 1/20 0.32
HDAC4 P56524 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
METAP2 P50579 2/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
RXRA P19793 1/20 0.31
METAP1 P53582 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 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
SCHEMBL16109637 0.89 THRB (0.34) THRBTDP1AKR1C1PDK2HDAC4
SCHEMBL28438786 0.74 AKR1C1 (0.38) AKR1C1APEX1NPSR1RXRAMAPK1
SCHEMBL9297425 0.71 AKR1C1 (0.38) THRBTDP1AKR1C1KMT2ATSHR
SCHEMBL9682817 0.71 AKR1C1 (0.38) THRBTDP1AKR1C1KMT2ATSHR
SCHEMBL15657621 0.68 SLC6A2 (0.31)
SCHEMBL13447808 0.68 TRPA1 (0.32) TDP1
SCHEMBL11614553 0.66 AKR1C1 (0.41) AKR1C1
SCHEMBL9693321 0.65 AKR1C1 (0.37) THRBTDP1AKR1C1KMT2AHDAC4
SCHEMBL9296436 0.65 LMNA (0.43) TDP1
SCHEMBL9296444 0.65 LMNA (0.43) TDP1

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-9896402-B2 Method for preventing decrease in optical purity TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-02-20 US disclosed
US-20140296582-A1 METHOD FOR PREVENTING DECREASE IN OPTICAL PURITY TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-10-02 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-20140296582-A1 METHOD FOR PREVENTING DECREASE IN OPTICAL PURITY QDPR, NOX4, NOX5 THRB 4836/4885TDP1 3730/4885AKR1C1 2057/4885

“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.