SCHEMBL7707969

SCHEMBL7707969

COc1c(Cl)ccc(P(=O)(c2ccccc2)c2ccccc2)c1I

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 5/20 0.39
TAS1R3 Q7RTX0 4/20 0.38
TAS1R1 Q7RTX1 4/20 0.38
TAS1R2 Q8TE23 3/20 0.38
MAPT P10636 1/20 0.37
MEN1 O00255 4/20 0.35
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
SMO Q99835 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
SCHEMBL2211499 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10KMT2ATAS1R3
SCHEMBL8994715 0.83 KMT2A (0.49) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL6130205 0.76 KMT2A (0.48) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL9099571 0.74 NPSR1 (0.42) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL8994708 0.73 KMT2A (0.49) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL7212732 0.70 KMT2A (0.51) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL7712031 0.69 NPSR1 (0.38) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL2210519 0.69 POLB (0.43) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL4445330 0.69 KMT2A (0.50) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL6034484 0.69 CYP1A1 (0.43) ALDH1A1KDM4EKMT2AMAPTMEN1

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-6489513-B2 REACTING AROMATIC BROMINE COMPOUND WITH DIPHENYLPHOSPHINIC CHLORIDE IN A MIXTURE OF TETRAHYDROFURAN AND AROMATIC HYDROCARBON TO GIVE A DIPHENYLPHOSPHINE OXIDE, ISOLATING, METALATING; REACTING WITH IODINE, REACTING WITH COPPER BAYER AKTIENGESELLSCHAFT (DE) 2002-12-03 US disclosed
US-20020058814-A1 Process for the preparation of enantiomerically pure (5,5'-dichloro-6,6'-dimethoxy-biphenyl-2,2'-diyl)- bis(diphenylphosphine oxides) LANXESS DEUTSCHLAND GMBH (DE) 2002-05-16 US disclosed
US-5801261-A Bisphosphines as catalysts for asymmetric reactions BAYER AKTIENGESELLSCHAFT (DE) 1998-09-01 US disclosed
US-5710339-A REACTION OF PHOSPHOROUS OXYCHLORIDE WITH 5-BROMO-2-CHLORO ANISOLE AND REACTION WITH GRIGNARD REAGENT, LITHIUM AMIDE AND IODINE FOR DIMERIZATION THEN COMPLEXING BAYER AKTIENGESELLSCHAFT (DE) 1998-01-20 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-20020058814-A1 Process for the preparation of enantiomerically pure (5,5'-dichloro-6,6'-dimethoxy-biphenyl-2,2'-diyl)- bis(diphenylphosphine oxides) DDT, HDHD5, DDC ALDH1A1 1625/4885KDM4E 2145/4885HSD17B10 1761/4885

“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.