SCHEMBL12221404

SCHEMBL12221404

C=C(C)c1cc(CP(=O)(O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 6/20 0.42
▸ TSHR P16473 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ BLM P54132 2/20 0.42
▸ ATM Q13315 2/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ PTPRB P23467 2/20 0.41
▸ PGK1 P00558 1/20 0.41
▸ PGK2 P07205 1/20 0.41
▸ HMGCR P04035 2/20 0.39
▸ LMNA P02545 3/20 0.38

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
SCHEMBL13454962 0.85 HMGCR (0.49) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL78134 0.84 MEN1 (0.61) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL12085755 0.83 GAA (0.59) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL914947 0.82 MEN1 (0.59) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL1717587 0.82 MEN1 (0.59) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL9419687 0.82 MEN1 (0.59) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL5431932 0.82 MEN1 (0.59) GAAMEN1KMT2AALDH1A1TSHR
Magnesium SCHEMBL916083 0.82 MEN1 (0.59) GAAMEN1KMT2AALDH1A1TSHR
Calcium SCHEMBL912231 0.82 MEN1 (0.59) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL11438936 0.82 MEN1 (0.59) GAAMEN1KMT2AALDH1A1TSHR

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-20110245533-A1 NANOPARTICLE INCLUDING MULTI-FUNCTIONAL LIGAND AND METHOD SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-10-06 — — US disclosed
US-20110103064-A1 SOLID STATE LIGHTING DEVICES INCLUDING QUANTUM CONFINED SEMICONDUCTOR NANOPARTICLES, AN OPTICAL COMPONENT FOR A SOLID STATE LIGHTING DEVICE, AND METHODS SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-05 — — US disclosed
US-20090162011-A1 Compositions, optical component, system including an optical component, devices, and other products SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-06-25 — — US disclosed
US-20080108779-A1 Process for producing polyester with metal phosphonic acid complex catalysts CIBA CORP. 2008-05-08 — — 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-20110245533-A1 NANOPARTICLE INCLUDING MULTI-FUNCTIONAL LIGAND AND METHOD AS3MT, ARSA, SMS GAA 3617/4885MEN1 3455/4885KMT2A 1739/4885

“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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