SCHEMBL7029367

SCHEMBL7029367

Cc1ccc(N(c2ccc(C)cc2)P(N)(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.44
ACHE P22303 2/20 0.42
HPGD P15428 1/20 0.41
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL18500930 0.76 LMNA (0.53) TSHRALDH1A1HPGDGAALMNA
SCHEMBL96680 0.75 HTT (0.48) TSHRALDH1A1HPGDGAATDP1
Phosphoric Acid SCHEMBL38656821 0.68 TSHR (0.52) TSHRALDH1A1ACHEHPGDGAA
Phosphoric Acid SCHEMBL10840458 0.67 ALDH1A1 (0.71) TSHRALDH1A1HPGDGAALMNA
SCHEMBL20650369 0.66 ALDH1A1 (0.63) TSHRALDH1A1ACHELMNATDP1
SCHEMBL9461295 0.66 ALDH1A1 (0.55) TSHRALDH1A1ACHELMNATDP1
SCHEMBL2270751 0.66 ALDH1A1 (0.55) TSHRALDH1A1ACHELMNATDP1
SCHEMBL5545694 0.65 MAPT (0.42) TSHRALDH1A1ACHEHPGDTDP1
SCHEMBL13926340 0.65 ACHE (0.68) TSHRALDH1A1ACHELMNATDP1
SCHEMBL1457605 0.65 ACHE (0.68) TSHRALDH1A1ACHELMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030109736-A1 Phosphorus compound DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-12 US disclosed
EP-1277758-A1 PHOSPHORUS COMPOUND Daicel Chemical Industries, Ltd. (JP) 2003-01-22 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-20030109736-A1 Phosphorus compound NR4A1, POLL, NR0B1 TSHR 2410/4885ALDH1A1 3180/4885ACHE 4824/4885

“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.