SCHEMBL7146592

SCHEMBL7146592

COC(OC)(C(Cn1ncc2ccccc21)P(O)(O)(O)CC(C#N)N(C(C)C)C(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
KMO O15229 1/20 0.33
CHRM2 P08172 7/20 0.32
CHRM1 P11229 7/20 0.32
CHRM3 P20309 1/20 0.32
RECQL P46063 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL7149083 0.82
SCHEMBL7144825 0.75 TK1 (0.42)
SCHEMBL7147950 0.73 RECQL (0.43) CYP1A2KMOCHRM2CHRM1CHRM3
SCHEMBL7139055 0.73
SCHEMBL7149316 0.72 KDM4E (0.39) RECQLHTR2AHTR2CHTR2B
SCHEMBL7147277 0.71 PARP14 (0.30)
SCHEMBL8729507 0.69
SCHEMBL8461046 0.68 CYP1A2 (0.38) CYP1A2KMORECQL
SCHEMBL7142477 0.63 CTSS (0.32)
SCHEMBL7146920 0.63 SMN1; SMN2 (0.35)

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-20030065146-A1 Monomeric diols, phosphate linked oligomers formed therefrom and processes for preparing COOK PHILLIP D (US) 2003-04-03 US disclosed
US-6448373-B1 INHIBITORS OF ENZYMES SUCH AS PHOSPHOLIPASE A2; TREATMENT OF INFLAMMATORY DISEASES INCLUDING ATOPIC DERMATITIS AND INFLAMMATORY BOWEL DISEASE ISIS PHARMACEUTICALS, INC. 2002-09-10 US disclosed
EP-0739351-B1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS INC (US) 2002-04-10 EP 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-20030065146-A1 Monomeric diols, phosphate linked oligomers formed therefrom and processes for preparing BPGM, PPIP5K2, PGM2 CYP1A2 4787/4885KMO 3745/4885CHRM2 730/4885

“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.