SCHEMBL24654217

SCHEMBL24654217

CC(C)(C)COCCC1CCC(c2ccc(CNC(C)(C)C)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.38
▸ ESR2 Q92731 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 3/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ESR1 P03372 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CACNA1G O43497 1/20 0.31
▸ CACNA1H O95180 1/20 0.31
▸ CACNA1I Q9P0X4 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ CNR2 P34972 1/20 0.30
▸ KDM4C Q9H3R0 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
SCHEMBL18592218 0.81 DRD2 (0.40) CYP2C9CYP3A4HRH3
SCHEMBL18591753 0.74 LTA4H (0.35) LTA4HALDH1A1KMT2A
SCHEMBL22965358 0.70 CARM1 (0.45) CYP2C9MEN1KMT2ACYP3A4HRH3
SCHEMBL25053674 0.70 DRD2 (0.44) CYP2C9HRH3
SCHEMBL23664608 0.70 HRH3 (0.41) CYP2C9CYP3A4HRH3
SCHEMBL18560032 0.67 ESR1 (0.50) ESR2ALDH1A1LMNAMAPTCYP2C9
SCHEMBL12926318 0.66 ESR2 (0.42) ESR2ALDH1A1LMNAMAPTCYP2C9
SCHEMBL5839383 0.66 LTA4H (0.46) LTA4HALDH1A1LMNAMAPTCYP3A4
SCHEMBL18591747 0.66 DRD4 (0.41) ALDH1A1MAPTHRH3
SCHEMBL9266724 0.65 DRD2 (0.46) ESR2ALDH1A1LMNAMAPTCYP2C9

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-20220267305-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2022-08-25 — — 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-20220267305-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE ADRM1, MDM2, ESR2 LTA4H 2731/4885ESR2 3/4885ALDH1A1 2935/4885

“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.

Send feedback