SCHEMBL4923083

SCHEMBL4923083

Cc1cc(-c2ccccc2C)ccc1P

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.46
▸ TRPA1 O75762 1/20 0.45
▸ CTSD P07339 1/20 0.45
▸ BACE1 P56817 1/20 0.45
▸ HTR7 P34969 3/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ GRIA1 P42261 1/20 0.42
▸ CACNG8 Q8WXS5 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ AR P10275 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41

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
SCHEMBL9419202 0.80 HTR7 (0.50) MCL1TRPA1CTSDBACE1HTR7
SCHEMBL18308738 0.79 ALDH1A1 (0.48) MCL1CA1CA2CYP3A4TSHR
SCHEMBL9016335 0.78 HSD17B1 (0.42) CYP1A2CYP3A4TSHRALDH1A1MAPK1
SCHEMBL18308752 0.77 ALDH1A1 (0.46) MCL1CA1CA2CYP3A4TSHR
SCHEMBL3633054 0.77 CA12 (0.61) MCL1TRPA1CTSDBACE1HTR7
SCHEMBL29551674 0.77 CA12 (0.61) MCL1TRPA1CTSDBACE1HTR7
SCHEMBL18308753 0.76 ESR2 (0.38) CA12CA9CA1CA2CYP3A4
SCHEMBL18308769 0.76 ESR2 (0.38) MCL1CA12CA9CA1CA2
SCHEMBL8115899 0.76 MCL1 (0.50) MCL1TRPA1CTSDBACE1HTR7
SCHEMBL20786843 0.76 CA12 (0.52) MCL1TRPA1CTSDBACE1HTR7

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 MCL1 4086/4885TRPA1 756/4885CTSD 4805/4885

“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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