SCHEMBL4924850

SCHEMBL4924850

Pc1ccccc1Cc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 5/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ CTRC Q99895 1/20 0.51
▸ CYP1A2 P05177 3/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2D6 P10635 3/20 0.47
▸ ADRA2A P08913 4/20 0.46
▸ ADRA2B P18089 4/20 0.46
▸ ADRA2C P18825 4/20 0.46
▸ ADRA1A P35348 3/20 0.46
▸ ADRA1D P25100 2/20 0.46
▸ ADRA1B P35368 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ NISCH Q9Y2I1 1/20 0.45

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
SCHEMBL599659 0.87 CYP2C19 (0.62) CYP2C19CYP3A4CTRCCYP1A2CYP2C9
SCHEMBL29490353 0.87 CYP2C19 (0.62) CYP2C19CYP3A4CTRCCYP1A2CYP2C9
SCHEMBL11328087 0.84 CYP2C19 (0.60) CYP2C19CYP3A4CTRCCYP1A2CYP2C9
Hydrogen Sulfide SCHEMBL11348128 0.84 CYP2C19 (0.60) CYP2C19CYP3A4CTRCCYP1A2CYP2C9
Potassium SCHEMBL29867531 0.84 CYP2C19 (0.60) CYP2C19CYP3A4CTRCCYP1A2CYP2C9
SCHEMBL11339937 0.84 CYP2C19 (0.60) CYP2C19CYP3A4CTRCCYP1A2CYP2C9
SCHEMBL659516 0.84 CYP2C19 (0.60) CYP2C19CYP3A4CTRCCYP1A2CYP2C9
SCHEMBL4667060 0.84 CYP2C19 (0.60) CYP2C19CYP3A4CTRCCYP1A2CYP2C9
SCHEMBL659517 0.84 CYP2C19 (0.60) CYP2C19CYP3A4CTRCCYP1A2CYP2C9
Hydrogen Sulfide SCHEMBL27479604 0.84 CYP2C19 (0.60) CYP2C19CYP3A4CTRCCYP1A2CYP2C9

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-8471067-B2 Stereoselective preparation of P-chiral four-co-ordinated phosphorus compound (o-Tolylphenylmethylphosphine oxide) by reacting chiral alcohol, chiral amine or chiral thiol, with P-chiral three-co-ordinated phosphorus compound, in presence of electrophile UNIVERSITY COLLEGE DUBLIN (IE) 2013-06-25 — — US disclosed
US-20080255391-A1 Chiral Phosphorus Compounds UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND (IE) 2008-10-16 — — US disclosed
EP-1751170-A1 CHIRAL PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2007-02-14 — — EP disclosed
WO-2005118603-A1 CHIRAL PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2005-12-15 — — WO 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-20080255391-A1 Chiral Phosphorus Compounds PHOSPHO1, PNKP, PTMS CYP2C19 1337/4885CYP3A4 380/4885CTRC 435/4885

“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.

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