SCHEMBL3452059

SCHEMBL3452059

CC(C)(C)OC(=O)CCNC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.48
EPHX2 P34913 5/20 0.44
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BTK Q06187 1/20 0.40
MLYCD O95822 1/20 0.38
CXCR4 P61073 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3725473 0.98 EPHX1 (0.50) EPHX1EPHX2GAAALDH1A1KDM4E
SCHEMBL22323198 0.97 EPHX1 (0.44) EPHX1EPHX2GAAALDH1A1KDM4E
SCHEMBL22323279 0.93 EPHX2 (0.40) EPHX1EPHX2GAAALDH1A1KDM4E
SCHEMBL6351612 0.83 EPHX2 (0.45) EPHX1EPHX2ALDH1A1KDM4EMEN1
SCHEMBL7277999 0.82 EPHX1 (0.46) EPHX1EPHX2GAAALDH1A1KDM4E
SCHEMBL619500 0.82 EPHX2 (0.62) EPHX2ALDH1A1KDM4ECXCR4TAAR1
SCHEMBL2547400 0.81 EPHX1 (0.49) EPHX1EPHX2GAAKDM4EMEN1
SCHEMBL11373425 0.81 EPHX1 (0.49) EPHX1EPHX2GAAKDM4EMEN1
SCHEMBL1202915 0.80 EPHX2 (0.65) EPHX1EPHX2ALDH1A1KDM4ECXCR4
SCHEMBL16473262 0.80 EPHX2 (0.65) EPHX1EPHX2ALDH1A1KDM4ECXCR4

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-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
EP-1753735-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Transtech Pharma, Inc. (US) 2007-02-21 EP disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 US disclosed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 WO 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-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R EPHX1 2272/4885EPHX2 1795/4885GAA 1009/4885

“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.