SCHEMBL8403328

SCHEMBL8403328

C=CCCCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 3/20 0.37
ALOX15 P16050 1/20 0.35
AOX1 Q06278 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 2/20 0.32
GAA P10253 2/20 0.32
ABCC4 O15439 1/20 0.32
ALPG P10696 1/20 0.32
ALOX12 P18054 1/20 0.32
NPY1R P25929 1/20 0.32
HTT P42858 1/20 0.32
NPY2R P49146 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TLR8 Q9NR97 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL9801863 0.98 TSHR (0.40) ALDH1A1TDP1USP2HPGDTSHR
SCHEMBL9801905 0.98 TSHR (0.40) ALDH1A1TDP1USP2HPGDTSHR
SCHEMBL8757520 0.98 TSHR (0.40) ALDH1A1TDP1USP2HPGDTSHR
SCHEMBL8987951 0.82 MEN1 (0.41) LMNANPSR1SMN1; SMN2PKML3MBTL1
SCHEMBL11711810 0.80 EPHX2 (0.41) TDP1TSHRNPSR1SMN1; SMN2PKM
SCHEMBL4934443 0.80 EPHX2 (0.41) TDP1TSHRNPSR1SMN1; SMN2PKM
SCHEMBL8756382 0.80 EPHX2 (0.41) TDP1TSHRNPSR1SMN1; SMN2PKM
SCHEMBL4821584 0.79 MEN1 (0.42) ALDH1A1HPGDTSHRAOX1MAPT
SCHEMBL9806367 0.77 EPHX2 (0.41) ALDH1A1TDP1HPGDALOX15LMNA
SCHEMBL19634525 0.76 HTT (0.39) TSHRLMNAHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436183-B2 Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-20120130076-A1 Synthetic Multimerizing Agents ARIAD PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-8106191-B2 Compounds based on N- acyl-pipecolyl and N-acyl-prolyl ligand moieties for multimerizing chimeric proteins containing immunophilin-derived domains ARIAD PHARMACEUTICALS, INC. (US) 2012-01-31 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-20120130076-A1 Synthetic Multimerizing Agents FKBP1B, FKBP2, FKBP14 ALDH1A1 4766/4885TDP1 2739/4885USP2 3689/4885

“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.