SCHEMBL5012650

SCHEMBL5012650

O=C(CC1CC1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
EPHX1 P07099 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 1/20 0.43
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HSD11B1 P28845 2/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX2 P34913 1/20 0.36
IDO1 P14902 3/20 0.35
TDO2 P48775 1/20 0.35
RECQL P46063 1/20 0.34
ALOX5 P09917 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL9187411 0.87
SCHEMBL10451241 0.86 CYP1A2 (0.41) CES2CES1EPHX1HPGDKMT2A
SCHEMBL3434822 0.84 EPHX1 (0.38) CES2CES1EPHX1HPGDKMT2A
SCHEMBL27478468 0.81 KMT2A (0.41) CES2CES1EPHX1HPGDKMT2A
SCHEMBL16168275 0.81 EPHX1 (0.41) CES2CES1EPHX1HPGDKMT2A
Thiophene SCHEMBL28743390 0.80 EPHX2 (0.39) CES2CES1EPHX1HPGDKMT2A
SCHEMBL19189959 0.80 SMN1; SMN2 (0.47) EPHX1HPGDKMT2AALDH1A1EPHX2
Thiophene SCHEMBL27521434 0.80 EPHX2 (0.39) CES2CES1EPHX1HPGDKMT2A
Thiophene SCHEMBL27520151 0.80 EPHX2 (0.39) CES2CES1EPHX1HPGDKMT2A
SCHEMBL3435663 0.79 EPHX1 (0.37) EPHX1HPGDKMT2AALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023069720-A1 COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND METHODS OF USE THEREOF MONTE ROSA THERAPEUTICS, INC. (US) 2023-04-27 WO disclosed
US-20080113994-A1 Annelated Quinoline Derivatives As Pesticide VELTEN ROBERT 2008-05-15 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-20080113994-A1 Annelated Quinoline Derivatives As Pesticide DDT, ACHE, SIRT4 CES2 771/4885CES1 1393/4885EPHX1 2819/4885

“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.