SCHEMBL21895375

SCHEMBL21895375

CC(C)C(=O)C1CC2C=CC1C2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
LMNA P02545 1/20 0.53
ALDH1A1 P00352 6/20 0.43
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.35
EPHX2 P34913 3/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
ESR2 Q92731 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD11B1 P28845 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL12353945 0.82 KDM4E (0.47) KDM4ELMNAALDH1A1THRBHPGD
SCHEMBL7715902 0.78 KDM4E (0.52) KDM4ELMNAALDH1A1THRBHPGD
SCHEMBL301403 0.77 KDM4E (0.59) KDM4ELMNAALDH1A1THRBHPGD
SCHEMBL11689296 0.77 KDM4E (0.59) KDM4ELMNAALDH1A1THRBHPGD
SCHEMBL14822849 0.77 KDM4E (0.59) KDM4ELMNAALDH1A1THRBHPGD
SCHEMBL5892403 0.76 KDM4E (0.63) KDM4ELMNAALDH1A1THRBHPGD
SCHEMBL3372060 0.76 KDM4E (0.44) KDM4ELMNAALDH1A1THRBRAB9A
SCHEMBL24220248 0.76 LMNA (0.62) KDM4ELMNAALDH1A1THRBHPGD
SCHEMBL11800180 0.76 ALDH1A1 (0.56) KDM4ELMNAALDH1A1THRBHPGD
SCHEMBL952719 0.76 ALDH1A1 (0.56) KDM4ELMNAALDH1A1THRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018288-A1 CURABLE COMPOSITIONS WITH CROSSLINKERS FOR ADDITIVE MANUFACTURING ALIGN TECHNOLOGY, INC. 2024-01-18 US disclosed
US-20240016579-A1 ADDITIVELY MANUFACTURED DENTAL ATTACHMENT PLACEMENT DEVICES USING CURABLE COMPOSITIONS ALIGN TECHNOLOGY, INC. 2024-01-18 US disclosed
US-20230021953-A1 MULTI-VALENT POLYMERIZABLE COMPOSITIONS AND METHODS OF PRODUCING AND USING THE SAME ALIGN TECHNOLOGY, INC. 2023-01-26 US disclosed
US-20200115400-A1 METHOD FOR PRODUCING SILICON COMPOUND, AND SILICON COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-04-16 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-20200115400-A1 METHOD FOR PRODUCING SILICON COMPOUND, AND SILICON COMPOUND SI, SIK1, CA1 KDM4E 3666/4885LMNA 3637/4885ALDH1A1 881/4885

“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.