SCHEMBL14339302

SCHEMBL14339302

CC(C)(C)c1ccc(P(=O)(c2ccc(C(C)(C)C)cc2)c2ccc(P(=O)(c3ccc(P(=O)(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)c3ccc(P(=O)(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
HDAC1 Q13547 1/20 0.46
LMNA P02545 2/20 0.46
TYR P14679 1/20 0.46
KIF11 P52732 4/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.41
SRD5A2 P31213 1/20 0.40
CYP1A2 P05177 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPT P10636 1/20 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
SCHEMBL3129845 1.00 TSHR (0.48) TSHRHDAC1LMNATYRKIF11
SCHEMBL31212638 0.91 LMNA (0.50) TSHRHDAC1LMNAALDH1A1MAPT
SCHEMBL17994301 0.91 LMNA (0.50) TSHRHDAC1LMNAALDH1A1MAPT
SCHEMBL16302778 0.82 TSHR (0.46) TSHRHDAC1LMNATYRKIF11
SCHEMBL19735278 0.81 PTPN1 (0.45) ALDH1A1POLBMAPT
SCHEMBL28653906 0.80 TSHR (0.44) TSHRHDAC1LMNATYRKIF11
SCHEMBL28648776 0.80 TSHR (0.50) TSHRHDAC1LMNATYRKIF11
SCHEMBL11319555 0.80 TSHR (0.44) TSHRHDAC1LMNATYRKIF11
SCHEMBL665714 0.80 HDAC1 (0.48) TSHRHDAC1LMNATYRALDH1A1
SCHEMBL4320814 0.80 LMNA (0.56) TSHRHDAC1LMNATYRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9406910-B2 Organic electroluminescent element and manufacturing method thereof, and phosphorus-containing organic compound and manufacturing method thereof DAIDEN CO., LTD (JP) 2016-08-02 US disclosed
US-9406910-B2 Organic electroluminescent element and manufacturing method thereof, and phosphorus-containing organic compound and manufacturing method thereof DAIDEN CO., LTD (JP) 2016-08-02 US disclosed
US-20130295706-A1 Organic Electroluminescent Element and Manufacturing Method Thereof, and Phosphorus-Containing Organic Compound and Manufacturing Method Thereof KYUSHU ELECTRIC POWER CO., INC. (JP) 2013-11-07 US disclosed
US-20130295706-A1 Organic Electroluminescent Element and Manufacturing Method Thereof, and Phosphorus-Containing Organic Compound and Manufacturing Method Thereof KYUSHU ELECTRIC POWER CO., INC. (JP) 2013-11-07 US disclosed
US-20070290605-A1 Organic Electroluminescent Element and Manufacturing Method Thereof, and Phosphorus-Containing Organic Compound and Manufacturing Method Thereof KYUSHU ELECTRIC POWER CO., INC. (JP) 2007-12-20 US disclosed
US-20070228356-A1 ORGANIC-INORGANIC COMPOSITE SEMICONDUCTOR MATERIAL, LIQUID MATERIAL, ORGANIC LIGHT EMITTING ELEMENT, METHOD OF MANUFACTURING ORGANIC LIGHT EMITTING ELEMENT, LIGHT EMITTING DEVICE AND ELECTRONIC APPARATUS SEIKO EPSON CORPORATION (JP) 2007-10-04 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-20070290605-A1 Organic Electroluminescent Element and Manufacturing Method Thereof, and Phosphorus-Containing Organic Compound and Manufacturing Method Thereof SLCO4C1, SLC10A6, SLC19A2 TSHR 4082/4885HDAC1 4720/4885LMNA 2279/4885

“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.