SCHEMBL1041440

SCHEMBL1041440

COC(=C1C2CC3CC(C2)CC1C3)c1cccc(O[PH2]=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
FAAH O00519 2/20 0.41
CNR2 P34972 2/20 0.41
ATM Q13315 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
EPHX2 P34913 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ESR1 P03372 1/20 0.33
PARP1 P09874 1/20 0.33
GRM5 P41594 1/20 0.33
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 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
SCHEMBL31236475 0.85 MEN1 (0.51) KMT2AMEN1FAAHCNR2CES2
SCHEMBL7598259 0.85 MEN1 (0.51) KMT2AMEN1FAAHCNR2CES2
SCHEMBL7599431 0.82 EPHX2 (0.48) KMT2AMEN1FAAHCNR2EPHX2
SCHEMBL9179949 0.81 KMT2A (0.43) KMT2AMEN1FAAHCNR2ATM
SCHEMBL4388186 0.80 THRB (0.37) KMT2AMEN1FAAHCNR2ALDH1A1
SCHEMBL15144447 0.80 KMT2A (0.42) KMT2AMEN1FAAHCNR2ATM
SCHEMBL9616774 0.80 KMT2A (0.42) KMT2AMEN1FAAHCNR2ATM
SCHEMBL9430678 0.79 ELANE (0.43) KMT2AMEN1FAAHCNR2EPHX2
SCHEMBL734321 0.78 FAAH (0.43) KMT2AMEN1FAAHCNR2EPHX2
SCHEMBL8058782 0.78 FAAH (0.43) KMT2AMEN1FAAHCNR2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429993-B1 USES OF IMPROVED POLYMER-SUPPORTED PHOTOSENSITIZERS IN THE GENERATION OF SINGLET OXYGEN LUMIGEN INC (US) 2011-01-26 EP disclosed
EP-1432640-B1 POLYMER-SUPPORTED PHOTOSENSITISERS LUMIGEN INC (US) 2009-01-14 EP disclosed
US-6774249-B2 CROSSLINKED POLYMER BACKBONE TO WHICH IS BOUND A PLURALITY OF PHOTOSENSITIZER GROUPS AND A PLURALITY OF CATIONIC +NR3 OR PR3+ GROUPS LUMIGEN, INC. 2004-08-10 US disclosed
US-20030095916-A1 Uses of improved polymer-supported photosensitizers in the generation of singlet oxygen LUMIGEN, INC. 2003-05-22 US disclosed
US-6545102-B1 Polymer-immobilized photosensitizers comprise a cross-linked polymer backbone, a plurality of cationic ammonium or phosphonium groups covalently bound to the polymer backbone and an immobilized photosensitizer. LUMIGEN, INC. 2003-04-08 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-20030095916-A1 Uses of improved polymer-supported photosensitizers in the generation of singlet oxygen PPOX, ACP1, LCP1 KMT2A 1265/4885MEN1 4359/4885FAAH 4394/4885

“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.