SCHEMBL5680437

SCHEMBL5680437

Cc1ccc(P(c2ccc(C)cc2)c2ccccc2P)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 1/20 0.33
DRD1 P21728 2/20 0.33
TOP1 P11387 2/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
HPGD P15428 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
SCHEMBL6252132 0.84 ACHE (0.43) ACHELMNATSHRALOX12TDP1
SCHEMBL5680509 0.83 ACHE (0.33) ACHE
SCHEMBL4659378 0.82 CYP3A4 (0.52) TDP1CYP3A4DRD1ESR1ESR2
Water SCHEMBL28398548 0.80 CYP3A4 (0.50) TDP1CYP3A4DRD1ESR1ESR2
SCHEMBL9016341 0.78 LMNA (0.38) ACHELMNATSHRALOX12TDP1
SCHEMBL16760866 0.75 TDP1 (0.44) ACHELMNATSHRALOX12TDP1
SCHEMBL15623199 0.75 ACHE (0.35) ACHELMNATSHRALOX12TDP1
SCHEMBL1683360 0.75 ALDH1A1 (0.39) ACHELMNATSHRALOX12TDP1
SCHEMBL23590181 0.73 MEN1 (0.34) ACHELMNATSHRALOX12TDP1
SCHEMBL5570256 0.72 TDP1 (0.40) ACHELMNATSHRALOX12TDP1

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
EP-1334976-B1 Novel phosphine compound, transition metal complex containing said compound as ligand and asymetric synthesis catalyst containing said complex TAKASAGO PERFUMERY CO LTD (JP) 2006-03-08 EP disclosed
US-6717016-B2 HAVING CHEMICAL SELECTIVITY, ENANTIOSELECTIVITY, CATALYTIC ACTIVITY; FOR USE AS A CATALYST FOR ASYMMETRIC SYNTHESES, ESPECIALLY ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-04-06 US disclosed
EP-1334976-A1 Novel phosphine compound, transition metal complex containing said compound as ligand and asymetric synthesis catalyst containing said complex Takasago International Corporation (JP) 2003-08-13 EP disclosed
US-20030144139-A1 Novel phosphine compound, transition metal complex containing the same phosphine compound as ligand and asymmetric synthesis catalyst containing the complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-07-31 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-20030144139-A1 Novel phosphine compound, transition metal complex containing the same phosphine compound as ligand and asymmetric synthesis catalyst containing the complex PHOSPHO1, MEN1, PDCD1 ACHE 1073/4885LMNA 4812/4885TSHR 2634/4885

“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.