SCHEMBL6834290

SCHEMBL6834290

C=C(C(O)CO[SiH](c1ccccc1)c1ccccc1)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32
LMNA P02545 1/20 0.32
CA1 P00915 1/20 0.31
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
RIPK1 Q13546 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30

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
SCHEMBL28010163 0.74 LMNA (0.52) CYP2D6LMNACA1HPGDADRB2
SCHEMBL27912769 0.74 LMNA (0.52) CYP2D6LMNACA1HPGDADRB2
SCHEMBL21051125 0.73 KDM4E (0.43) CYP2D6LMNACA1RIPK1ADRB2
SCHEMBL8940573 0.71
SCHEMBL27176122 0.69 GPR174 (0.39) LMNA
SCHEMBL704189 0.66 MAPK1 (0.33) RIPK1
SCHEMBL6957758 0.66 ALDH1A1 (0.35) LMNACYP3A4RIPK1
SCHEMBL29057609 0.65 AOC3 (0.31)
SCHEMBL38659464 0.65 L3MBTL1 (0.37)
Ethylene SCHEMBL27544639 0.64 LTA4H (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040068111-A1 Unsaturated phosphonate derivatives of purines and pyrimidines AVENTIS PHARMACEUTICALS INC. 2004-04-08 US disclosed
US-20030004345-A1 Unsaturated phosphonate derivatives of purines and pyrimidines CASARA PATRICK (FR) 2003-01-02 US disclosed
US-5922696-A VIRICIDES AGAINST DNA VIRUSES, RETROVIRUSES AND VIRUSES INVOLVED IN TUMOR FORMATION, CYTOMEGALOVIRUS, VARICELLA-ZOSTER VIRUS, EPSTEIN-BARR VIRUS, HUMAN IMMUNODEFICIENCY VIRUSES MERRELL PHARMACEUTICALS INC. (US) 1999-07-13 US disclosed
US-5817647-A VIRICIDES; ANTITUMOR AGENTS MERRELL PHARMACEUTICALS INC. (US) 1998-10-06 US disclosed
EP-0701562-B1 UNSATURATED PHOSPHONATES DERIVATIVES OF PURINES AND PYRIMIDINES MERRELL PHARMA INC (US) 1997-06-18 EP disclosed
EP-0618214-A1 Unsaturated phosphonate derivatives of purines and pyrimidines MERRELL DOW PHARMACEUTICALS INC. (US) 1994-10-05 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 (2 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-20040068111-A1 Unsaturated phosphonate derivatives of purines and pyrimidines TYMP, NUDT1, PNP CYP2D6 2938/4885LMNA 1437/4885CA1 4709/4885
US-20030004345-A1 Unsaturated phosphonate derivatives of purines and pyrimidines TYMP, NUDT1, PNP CYP2D6 2938/4885LMNA 1437/4885CA1 4709/4885

“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.