SCHEMBL12876158

SCHEMBL12876158

O=P(CP(=O)(c1ccccc1)c1ccccc1)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
ALPG P10696 1/20 0.42
ALOX12 P18054 1/20 0.42
NPY1R P25929 1/20 0.42
HTT P42858 1/20 0.42
NPY2R P49146 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
CETP P11597 3/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5327008 0.86 TSHR (0.63) TSHRALDH1A1LMNAALPGCETP
SCHEMBL5850148 0.80 TSHR (0.61) TSHRALDH1A1ALPGCETP
SCHEMBL9051467 0.79 TSHR (0.66) TSHRALDH1A1LMNAALPGCYP2C19
SCHEMBL17170418 0.79 TSHR (0.55) TSHRALDH1A1ALPGCETP
SCHEMBL6572557 0.79 TSHR (0.66) TSHRALDH1A1ALPGCETP
SCHEMBL22402661 0.78 TSHR (0.63) TSHRALDH1A1ALPGCETP
SCHEMBL9051512 0.78 TSHR (0.53) TSHRALDH1A1CETP
SCHEMBL5570426 0.77 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL389123 0.76 TSHR (0.61) TSHRALDH1A1MEN1KMT2AALPG
SCHEMBL5400948 0.76 TSHR (0.61) TSHRALDH1A1MEN1KMT2AALPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034714-A1 METAL COMPLEX COMPOUND, CANCER THERAPEUTIC AGENT COMPOSITION CONTAINING THE METAL COMPLEX COMPOUND AS AN ACTIVE INGREDIENT, AND INTERMEDIATE FOR THE METAL COMPLEX COMPOUND EKIMOTO HISAO 2011-02-10 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-20110034714-A1 METAL COMPLEX COMPOUND, CANCER THERAPEUTIC AGENT COMPOSITION CONTAINING THE METAL COMPLEX COMPOUND AS AN ACTIVE INGREDIENT, AND INTERMEDIATE FOR THE METAL COMPLEX COMPOUND NR3C2, NR3C1, MC5R TSHR 1365/4885ALDH1A1 3620/4885MEN1 23/4885

“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.