SCHEMBL19251049

SCHEMBL19251049

CCC1COC(c2ccccc2)(c2ccccc2)OC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 10/20 0.44
HTR1A P08908 8/20 0.44
ADRA1B P35368 8/20 0.44
ADRA1D P25100 7/20 0.44
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40

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
SCHEMBL18978964 0.80 ADRA1A (0.48) ADRA1AHTR1AADRA1BADRA1DGAA
SCHEMBL18978977 0.80 ADRA1A (0.44) ADRA1AHTR1AADRA1BADRA1DGAA
SCHEMBL14039677 0.79 GRIN1 (0.45) ADRA1AHTR1AADRA1BADRA1DGAA
SCHEMBL29822277 0.75 GRIN1 (0.49) ADRA1AHTR1AADRA1BADRA1DGAA
SCHEMBL18978978 0.74 ADRA1A (0.44) ADRA1AHTR1AADRA1BADRA1D
SCHEMBL28136806 0.73 ADRA1A (0.43) ADRA1AHTR1AADRA1BADRA1DGAA
SCHEMBL11490512 0.73 NPSR1 (0.37) ADRA1AHTR1AADRA1BADRA1D
SCHEMBL18978749 0.73 ADRA1A (0.44) ADRA1AHTR1AADRA1BADRA1D
SCHEMBL10501603 0.72 GRIN1 (0.46) ADRA1AHTR1AADRA1BADRA1DGAA
SCHEMBL28087950 0.72 SLC6A4 (0.40) HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168101-B2 Crystal of cyclic phosphonic acid sodium salt and method for manufacturing same OTSUKA CHEMICAL CO., LTD. (JP) 2021-11-09 US disclosed
EP-3483169-B1 CRYSTAL OF CYCLIC PHOSPHONIC ACID SODIUM SALT AND METHOD FOR MANUFACTURING SAME OTSUKA CHEMICAL CO LTD (JP) 2021-05-26 EP disclosed
US-10941169-B2 Crystal of cyclic phosphonic acid sodium salt and method for manufacturing same OTSUKA CHEMICAL CO., LTD. (JP) 2021-03-09 US disclosed
US-10774100-B2 Crystal of cyclic phosphonic acid sodium salt and method for manufacturing same OTSUKA CHECMIAL CO., LTD. (JP) 2020-09-15 US disclosed
US-20200277318-A1 CRYSTAL OF CYCLIC PHOSPHONIC ACID SODIUM SALT AND METHOD FOR MANUFACTURING SAME OTSUKA CHEMICAL CO., LTD. (JP) 2020-09-03 US disclosed
US-20200277317-A1 CRYSTAL OF CYCLIC PHOSPHONIC ACID SODIUM SALT AND METHOD FOR MANUFACTURING SAME OTSUKA CHEMICAL CO., LTD. (JP) 2020-09-03 US disclosed
US-20190330251-A1 CRYSTAL OF CYCLIC PHOSPHONIC ACID SODIUM SALT AND METHOD FOR MANUFACTURING SAME OTSUKA CHEMICAL CO., LTD. (JP) 2019-10-31 US disclosed
EP-3492479-A2 CRYSTAL OF CYCLIC PHOSPHONIC ACID SODIUM SALT AND METHOD FOR MANUFACTURING SAME Otsuka Chemical Co., Ltd. (JP) 2019-06-05 EP disclosed
EP-3483169-A1 CRYSTAL OF CYCLIC PHOSPHONIC ACID SODIUM SALT AND METHOD FOR MANUFACTURING SAME Otsuka Chemical Co., Ltd. (JP) 2019-05-15 EP disclosed
US-9908909-B2 Crystal of cyclic phosphonic acid sodium salt and method for manufacturing same OTSUKA CHEMICAL CO., LTD. (JP) 2018-03-06 US disclosed
US-20170233421-A1 CRYSTAL OF CYCLIC PHOSPHONIC ACID SODIUM SALT AND METHOD FOR MANUFACTURING SAME OTSUKA CHEMICAL CO., LTD. (JP) 2017-08-17 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 (7 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-11168101-B2 Crystal of cyclic phosphonic acid sodium salt and method for manufacturing same PPM1A, PPP1CA, PPM1G ADRA1A 1037/4885HTR1A 2346/4885ADRA1B 2667/4885
US-10774100-B2 Crystal of cyclic phosphonic acid sodium salt and method for manufacturing same PPM1A, PPM1G, PPP1CA ADRA1A 1225/4885HTR1A 1982/4885ADRA1B 2554/4885
US-20170233421-A1 CRYSTAL OF CYCLIC PHOSPHONIC ACID SODIUM SALT AND METHOD FOR MANUFACTURING SAME PPM1A, PPP1CA, PPM1G ADRA1A 931/4885HTR1A 2304/4885ADRA1B 2407/4885
US-20200277317-A1 CRYSTAL OF CYCLIC PHOSPHONIC ACID SODIUM SALT AND METHOD FOR MANUFACTURING SAME PPM1A, PPP1CA, PPM1G ADRA1A 1037/4885HTR1A 2346/4885ADRA1B 2667/4885
US-20200277318-A1 CRYSTAL OF CYCLIC PHOSPHONIC ACID SODIUM SALT AND METHOD FOR MANUFACTURING SAME PPM1A, PPP1CA, PPM1G ADRA1A 1099/4885HTR1A 2282/4885ADRA1B 2665/4885
US-20190330251-A1 CRYSTAL OF CYCLIC PHOSPHONIC ACID SODIUM SALT AND METHOD FOR MANUFACTURING SAME PPM1A, PPM1G, PPP1CA ADRA1A 1225/4885HTR1A 1982/4885ADRA1B 2554/4885
US-10941169-B2 Crystal of cyclic phosphonic acid sodium salt and method for manufacturing same PPM1A, PPP1CA, PPM1G ADRA1A 1099/4885HTR1A 2282/4885ADRA1B 2665/4885

“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.