SCHEMBL22901958

SCHEMBL22901958

C[C@@H]1C[C@H](C)NC(=O)CC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CRBN Q96SW2 1/20 0.33
BRD4 O60885 3/20 0.32
CREBBP Q92793 2/20 0.32
EP300 Q09472 1/20 0.32
LMNA P02545 1/20 0.30
CYP2C19 P33261 1/20 0.30
MAPT P10636 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
SCHEMBL22902078 1.00 KDM4E (0.33) KDM4EALDH1A1GLAGAACRBN
SCHEMBL16097822 0.75
SCHEMBL2755818 0.70 MAPT (0.41) KDM4EALDH1A1GLAGAACRBN
SCHEMBL22901959 0.65 BRD4 (0.38) CRBNBRD4CREBBPEP300
SCHEMBL22902081 0.65 BRD4 (0.38) CRBNBRD4CREBBPEP300
SCHEMBL21608159 0.64 MAPT (0.31) KDM4EALDH1A1CRBNLMNACYP2C19
SCHEMBL21608091 0.64 MAP3K14 (0.32) KDM4ECRBNLMNACYP2C19MAPT
SCHEMBL11845142 0.64 MAPT (0.31) MAPT
SCHEMBL31474209 0.64 KDM4E (0.31) KDM4ECRBNLMNACYP2C19MAPT
SCHEMBL20614486 0.63 CREBBP (0.52) CRBNBRD4CREBBPEP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210017332-A1 ISOMER-ENRICHED 3-CARANLACTAMS AND POLYAMIDES BASED THEREON WITH HIGH OPTICAL PURITY AND ADJUSTABLE CRYSTALLINITY FOR HIGH-PERFORMANCE APPLICATIONS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2021-01-21 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 (1 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-20210017332-A1 ISOMER-ENRICHED 3-CARANLACTAMS AND POLYAMIDES BASED THEREON WITH HIGH OPTICAL PURITY AND ADJUSTABLE CRYSTALLINITY FOR HIGH-PERFORMANCE APPLICATIONS NOTUM, MGAM, CARM1 KDM4E 810/4885ALDH1A1 1944/4885GLA 1214/4885

“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.