SCHEMBL21058288

SCHEMBL21058288

CCOC(=O)C1(O[SiH](C)C)CCC(C(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC22A1 O15245 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
OPRM1 P35372 1/20 0.30

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
SCHEMBL5009372 0.92 ALDH1A1 (0.40) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL5009367 0.92 ALDH1A1 (0.40) KDM4EALDH1A1LMNACYP1A2CYP3A4
Formic Acid SCHEMBL19466603 0.68 KDM4E (0.32) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL7343774 0.67 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7344198 0.67 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28468424 0.67 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8596797 0.67
SCHEMBL8576107 0.67
SCHEMBL6943929 0.65
SCHEMBL1634085 0.65 ALDH1A1 (0.41) KDM4EALDH1A1LMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10617692-B2 Pyrrolopyrimidine comprising cyclopentyl substituent CENTAURUS BIOPHARMA CO. (CN) 2020-04-14 US disclosed
US-20190183899-A1 PYRROLOPYRIMIDINE COMPRISING CYCLOPENTYL SUBSTITUENT CENTAURUS BIOPHARMA CO., LTD. (CN) 2019-06-20 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 (2 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-10617692-B2 Pyrrolopyrimidine comprising cyclopentyl substituent JAK1, JAK2, JAK3 KDM4E 450/4885ALDH1A1 814/4885LMNA 4872/4885
US-20190183899-A1 PYRROLOPYRIMIDINE COMPRISING CYCLOPENTYL SUBSTITUENT JAK1, JAK2, JAK3 KDM4E 450/4885ALDH1A1 814/4885LMNA 4872/4885

“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.