SCHEMBL16272178

SCHEMBL16272178

O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCCCCCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.42
ELANE P08246 1/20 0.42
SRD5A2 P31213 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 2/20 0.38
PTPN1 P18031 1/20 0.38
CETP P11597 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL18386576 1.00 HSP90AA1 (0.45) HSP90AA1HPGDPOLBELANESRD5A2
SCHEMBL21139383 1.00 HSP90AA1 (0.45) HSP90AA1HPGDPOLBELANESRD5A2
SCHEMBL10534961 1.00 HSP90AA1 (0.45) HSP90AA1HPGDPOLBELANESRD5A2
SCHEMBL19424019 1.00 HSP90AA1 (0.45) HSP90AA1HPGDPOLBELANESRD5A2
SCHEMBL18059140 1.00 HSP90AA1 (0.45) HSP90AA1HPGDPOLBELANESRD5A2
SCHEMBL20726184 1.00 HSP90AA1 (0.45) HSP90AA1HPGDPOLBELANESRD5A2
SCHEMBL8059143 0.98 HSP90AA1 (0.46) HSP90AA1HPGDPOLBELANESRD5A2
SCHEMBL7531104 0.91 HSP90AA1 (0.49) HSP90AA1HPGDELANELMNAGAA
SCHEMBL11008499 0.80 HSP90AA1 (0.40) HSP90AA1ALDH1A1GAAKDM4EMEN1
SCHEMBL8618530 0.76 ALDH1A1 (0.48) HSP90AA1HPGDPOLBLMNAALDH1A1

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-9365558-B2 Dihydropyridinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-14 US disclosed
US-20140357670-A1 DIHYDROPYRIDINONE MGAT2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-12-04 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-20140357670-A1 DIHYDROPYRIDINONE MGAT2 INHIBITORS DGAT2, DGAT1, MGAT2 HSP90AA1 2638/4885HPGD 561/4885POLB 3290/4885

“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.