SCHEMBL259946

SCHEMBL259946

CC(=O)N/C(C)=C\c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.61
RECQL P46063 1/20 0.52
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 3/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.46
FBP1 P09467 1/20 0.46
GLA P06280 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
EPHX1 P07099 1/20 0.44
AKR1C1 Q04828 1/20 0.44
NPC1 O15118 2/20 0.44
DHODH Q02127 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NAPRT Q6XQN6 1/20 0.43

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
SCHEMBL19435785 1.00 AKR1C3 (0.61) AKR1C3RECQLMTNR1AMTNR1BALDH1A1
SCHEMBL19435787 1.00 AKR1C3 (0.61) AKR1C3RECQLMTNR1AMTNR1BALDH1A1
SCHEMBL148738 0.84 AKR1C3 (0.57) AKR1C3RECQLMTNR1AMTNR1BALDH1A1
SCHEMBL148740 0.84 AKR1C3 (0.57) AKR1C3RECQLMTNR1AMTNR1BALDH1A1
SCHEMBL12718585 0.81 AKR1C3 (0.53) AKR1C3RECQLMTNR1AMTNR1BALDH1A1
SCHEMBL14123656 0.81 AKR1C3 (0.53) AKR1C3RECQLMTNR1AMTNR1BALDH1A1
SCHEMBL786716 0.80 AKR1C3 (0.57) AKR1C3RECQLMTNR1AMTNR1BALDH1A1
SCHEMBL388143 0.80 AKR1C3 (0.57) AKR1C3RECQLMTNR1AMTNR1BALDH1A1
SCHEMBL12561790 0.80 RECQL (0.53) AKR1C3RECQLMTNR1AMTNR1BALDH1A1
SCHEMBL388142 0.80 AKR1C3 (0.57) AKR1C3RECQLMTNR1AMTNR1BALDH1A1

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
US-8067642-B2 Chiral phosphorous compounds Celtice Catalysts Limited, Nova UCD (IE) 2011-11-29 US disclosed
US-20100168456-A1 CHIRAL PHOSPHOROUS COMPOUNDS CELTIC CATALYSTS LIMITED (IE) 2010-07-01 US disclosed
US-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PHOSPHOENIX SARL (FR) 2010-04-22 US disclosed
US-20090326253-A1 NOVEL PHOSPHINE LIGANDS IDING HANS 2009-12-31 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 (3 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-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PNP, NANP, PHOSPHO1 AKR1C3 2816/4885RECQL 1889/4885MTNR1A 4134/4885
US-20100168456-A1 CHIRAL PHOSPHOROUS COMPOUNDS RPP30, PLCB3, INPP5D AKR1C3 401/4885RECQL 2536/4885MTNR1A 3168/4885
US-20090326253-A1 NOVEL PHOSPHINE LIGANDS PRMT8, GRB7, STK38L AKR1C3 1958/4885RECQL 2208/4885MTNR1A 506/4885

“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.