SCHEMBL19250970

SCHEMBL19250970

CCC(CC)CCC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL19333177 0.86 RIPK1 (0.31) RIPK1
SCHEMBL19184828 0.84 ALDH1A1 (0.52) RIPK1TDP1ALDH1A1
SCHEMBL15183683 0.84 ALDH1A1 (0.52) RIPK1TSHRALDH1A1
SCHEMBL18974124 0.84 RIPK1 (0.30) RIPK1
SCHEMBL15183679 0.84 ALDH1A1 (0.52) RIPK1TSHRALDH1A1
SCHEMBL27936225 0.82 ALDH1A1 (0.44) RIPK1TDP1TSHRALDH1A1
SCHEMBL21579299 0.79 RIPK1 (0.33) RIPK1TDP1TSHR
SCHEMBL17524030 0.78 ALDH1A1 (0.41) RIPK1TDP1TSHRALDH1A1
SCHEMBL17524031 0.78 ALDH1A1 (0.41) RIPK1TDP1TSHRALDH1A1
SCHEMBL28335447 0.78 ALDH1A1 (0.32) TDP1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385081-B2 Crystal of cyclic phosphonic acid sodium salt and method for manufacturing same OTSUKA CHEMICAL CO., LTD. (JP) 2019-08-20 US disclosed
US-20180208614-A1 CRYSTAL OF CYCLIC PHOSPHONIC ACID SODIUM SALT AND METHOD FOR MANUFACTURING SAME OTSUKA CHEMICAL CO., LTD. (JP) 2018-07-26 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 (3 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-20170233421-A1 CRYSTAL OF CYCLIC PHOSPHONIC ACID SODIUM SALT AND METHOD FOR MANUFACTURING SAME PPM1A, PPP1CA, PPM1G RIPK1 3938/4885TDP1 2975/4885TSHR 3971/4885
US-20180208614-A1 CRYSTAL OF CYCLIC PHOSPHONIC ACID SODIUM SALT AND METHOD FOR MANUFACTURING SAME PPM1A, PPP1CA, PPM1G RIPK1 3938/4885TDP1 2975/4885TSHR 3971/4885
US-10385081-B2 Crystal of cyclic phosphonic acid sodium salt and method for manufacturing same PPM1A, PPP1CA, PPM1G RIPK1 3938/4885TDP1 2975/4885TSHR 3971/4885

“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.