SCHEMBL2207083

SCHEMBL2207083

CN1CC[P](O)(c2ccc(O)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 9/20 0.39
DRD5 P21918 9/20 0.39
DRD2 P14416 8/20 0.39
DRD3 P35462 8/20 0.39
QDPR P09417 1/20 0.38
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 1/20 0.35
DRD4 P21917 6/20 0.35
OPRD1 P41143 1/20 0.35
USP7 Q93009 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
CA12 O43570 1/20 0.32
GMNN O75496 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 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
SCHEMBL2207076 0.78 DRD1 (0.38) DRD1DRD5DRD2DRD3QDPR
SCHEMBL526167 0.64 ALDH1A1 (0.63) KDM4EALDH1A1MAPTPKMDRD4
SCHEMBL11148746 0.63 MC4R (0.67) DRD1DRD3KDM4EALDH1A1MAPT
SCHEMBL10272984 0.63 SMN1; SMN2 (0.40) DRD2ALDH1A1MAPTNPC1LMNA
SCHEMBL13783635 0.61 QDPR (0.65) QDPRUSP7CYP3A4
SCHEMBL2477654 0.60 LMNA (0.67) KDM4EALDH1A1MAPTDRD4NPC1
Hydroquinone SCHEMBL4309201 0.57 ALOX15 (0.80) DRD1DRD2DRD3KDM4EALDH1A1
Hydroquinone SCHEMBL8087392 0.57 ALOX15 (0.80) DRD1DRD2DRD3KDM4EALDH1A1
Hydroquinone SCHEMBL4071158 0.57 ALOX15 (0.80) DRD1DRD2DRD3KDM4EALDH1A1
Hydroquinone SCHEMBL5200519 0.57 ALOX15 (0.80) DRD1DRD2DRD3KDM4EALDH1A1

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-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 US disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 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-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC5, PPM1A, PTEN DRD1 4567/4885DRD5 4436/4885DRD2 4699/4885

“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.