SCHEMBL301148

SCHEMBL301148

O=S(=O)(O)c1ccc(P(c2ccccc2)c2ccc(S(=O)(=O)O)cc2)cc1.[KH]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CYP2D6 P10635 2/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 3/20 0.52
CYP3A4 P08684 1/20 0.52
ESR1 P03372 2/20 0.52
ESR2 Q92731 2/20 0.52
LMNA P02545 1/20 0.48
ALDH1A1 P00352 4/20 0.46
NT5E P21589 1/20 0.46
SNCA P37840 1/20 0.41
MAPK1 P28482 1/20 0.38
HTR6 P50406 1/20 0.37
HSD17B10 Q99714 2/20 0.36
PTPRA P18433 1/20 0.36
PTPRB P23467 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL6569261 1.00 TSHR (0.62) TSHRSMN1; SMN2CYP2D6POLBTDP1
Water SCHEMBL1536886 0.98 TSHR (0.60) TSHRSMN1; SMN2CYP2D6POLBTDP1
Water SCHEMBL21570871 0.98 TSHR (0.60) TSHRSMN1; SMN2CYP2D6POLBTDP1
Water SCHEMBL1238257 0.98 TSHR (0.60) TSHRSMN1; SMN2CYP2D6POLBTDP1
SCHEMBL996850 0.98 TSHR (0.65) TSHRSMN1; SMN2CYP2D6POLBTDP1
SCHEMBL718256 0.98 TSHR (0.65) TSHRSMN1; SMN2CYP2D6POLBTDP1
SCHEMBL6568428 0.96 TSHR (0.62) TSHRSMN1; SMN2CYP2D6POLBTDP1
Potassium SCHEMBL1450612 0.96 TSHR (0.62) TSHRSMN1; SMN2CYP2D6POLBTDP1
SCHEMBL8145540 0.96 TSHR (0.62) TSHRSMN1; SMN2CYP2D6POLBTDP1
Water SCHEMBL570669 0.96 TSHR (0.62) TSHRSMN1; SMN2CYP2D6POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527737-B2 Carbon nanotube manufacturing method NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-12-27 US disclosed
US-9481618-B2 Cyclopolyarylene compound and method of manufacturing same NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-11-01 US disclosed
EP-2610248-B1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND TEIJIN PHARMA LTD (JP) 2016-06-08 EP disclosed
US-9266909-B2 Cyclic compound containing functional group or containing no functional group, and method for producing same NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-02-23 US disclosed
US-20150126779-A1 CYCLIC COMPOUND CONTAINING FUNCTIONAL GROUP OR CONTAINING NO FUNCTIONAL GROUP, AND METHOD FOR PRODUCING SAME NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-05-07 US disclosed
US-8952174-B2 Process for producing phenyl-substituted heterocyclic derivative through coupling using transition metal catalyst TEIJIN PHARMA LIMITED (JP) 2015-02-10 US disclosed
US-8916714-B2 Method for producing phenyl-substituted heterocyclic derivative by means of coupling method using palladium compound TEIJIN PHARMA LIMITED (JP) 2014-12-23 US disclosed
US-20140066661-A1 CYCLOPOLYARYLENE COMPOUND AND METHOD OF MANUFACTURING SAME NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-03-06 US disclosed
US-20140030183-A1 CARBON NANOTUBE MANUFACTURING METHOD NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-01-30 US disclosed
EP-2684844-A1 CARBON NANOTUBE MANUFACTURING METHOD National University Corporation Nagoya University (JP) 2014-01-15 EP disclosed
US-20130324768-A1 CARBON NANORING AND METHOD FOR PRODUCING A RING-SHAPED COMPOUND SUITABLE AS A STARTING MATERIAL FOR PRODUCTION OF THE SAME NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2013-12-05 US disclosed
EP-2610248-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND Teijin Pharma Limited (JP) 2013-07-03 EP disclosed
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND TEIJIN PHARMA LIMITED (JP) 2013-06-20 US disclosed
EP-2546219-A1 CARBON NANORING AND METHOD FOR PRODUCING A RING-SHAPED COMPOUND SUITABLE AS A STARTING MATERIAL FOR PRODUCTION OF THE SAME National University Corporation Nagoya University (JP) 2013-01-16 EP disclosed
EP-2404908-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST Teijin Pharma Limited (JP) 2012-01-11 EP disclosed
US-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST TEIJIN PHARMA LIMITED (JP) 2011-12-22 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 (5 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-20140066661-A1 CYCLOPOLYARYLENE COMPOUND AND METHOD OF MANUFACTURING SAME CYP1B1, CYP51A1, CYP1A1 TSHR 4238/4885SMN1; SMN2 2145/4885CYP2D6 64/4885
US-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST XDH, PAH, HPRT1 TSHR 3099/4885SMN1; SMN2 3876/4885CYP2D6 185/4885
US-20130324768-A1 CARBON NANORING AND METHOD FOR PRODUCING A RING-SHAPED COMPOUND SUITABLE AS A STARTING MATERIAL FOR PRODUCTION OF THE SAME CBR1, CBR3, CYC1 TSHR 4066/4885SMN1; SMN2 3729/4885CYP2D6 749/4885
US-20150126779-A1 CYCLIC COMPOUND CONTAINING FUNCTIONAL GROUP OR CONTAINING NO FUNCTIONAL GROUP, AND METHOD FOR PRODUCING SAME CYP1B1, BCR, DDT TSHR 3884/4885SMN1; SMN2 4880/4885CYP2D6 404/4885
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND XDH, AOC1, PAH TSHR 3154/4885SMN1; SMN2 3766/4885CYP2D6 131/4885

“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.