SCHEMBL21664802

SCHEMBL21664802

CC(C)NCCCCCOCC(=O)S

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.40
CES2 O00748 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CYP2C19 P33261 2/20 0.35
TDP1 Q9NUW8 1/20 0.33
EPHX2 P34913 1/20 0.33
ADRB2 P07550 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 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
SCHEMBL23483049 0.90 MEN1 (0.37) KDM4EALDH1A1CYP2C19TDP1ADRB2
SCHEMBL24654423 0.84 CES2 (0.56) KDM4EALDH1A1CES2NPSR1CYP2C19
SCHEMBL24897599 0.84 CYP2C19 (0.49) KDM4EALDH1A1CES2NPSR1CYP2C19
SCHEMBL20325067 0.83 KDM4E (0.38) KDM4EALDH1A1CES2NPSR1CYP2C19
SCHEMBL19599821 0.83 KDM4E (0.40) KDM4EALDH1A1CES2NPSR1CYP2C19
SCHEMBL23695750 0.82 KDM4E (0.43) KDM4EALDH1A1NPSR1CYP2C19TDP1
SCHEMBL21107498 0.82 KDM4E (0.43) KDM4EALDH1A1NPSR1CYP2C19TDP1
SCHEMBL21026059 0.81 KDM4E (0.39) KDM4EALDH1A1CES2NPSR1CYP2C19
SCHEMBL21477210 0.81 CES2 (0.53) KDM4EALDH1A1CES2NPSR1CYP2C19
SCHEMBL20324928 0.81 CES2 (0.41) KDM4EALDH1A1CES2NPSR1CYP2C19

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-20200038513-A1 MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2020-02-06 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-20200038513-A1 MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE PTK2, CTTN, CRBN KDM4E 3237/4885ALDH1A1 3692/4885CES2 3422/4885

“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.