SCHEMBL29798909

SCHEMBL29798909

C[C@H]1CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.47
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 1/20 0.39
TACR1 P25103 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
TLR4 O00206 1/20 0.38
ROCK2 O75116 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
SCHEMBL19863575 0.88 CPB1 (0.48) CPB1ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL20991956 0.88 CPB1 (0.48) CPB1ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL19857404 0.85 KDM1A (0.34) ALDH1A1TSHRSMN1; SMN2
SCHEMBL30330711 0.84 CPB1 (0.43) CPB1ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL31644552 0.82 CPB1 (0.46) CPB1ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL30330926 0.81 CPB1 (0.42) CPB1ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL30233895 0.80 CPB1 (0.48) CPB1ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL28897095 0.80 CPB1 (0.48) CPB1ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL29483860 0.80 CPB1 (0.46) CPB1ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL3367621 0.79 KDM1A (0.45) GAA

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-20220324872-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2022-10-13 US disclosed
US-11396512-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2022-07-26 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-20220324872-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 CPB1 2326/4885ALDH1A1 3720/4885GAA 3247/4885
US-11396512-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 CPB1 2326/4885ALDH1A1 3720/4885GAA 3247/4885

“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.