SCHEMBL24930734

SCHEMBL24930734

O=C(NCCCl)NCCC1CCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.56
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRMT3 O60678 3/20 0.38
SIGMAR1 Q99720 2/20 0.37
BCHE P06276 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
ABCB11 O95342 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GSR P00390 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 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
SCHEMBL7511071 0.94 EPHX1 (0.64) EPHX1NPC1RAB9AL3MBTL1PRMT3
SCHEMBL7776480 0.84 EPHX1 (0.75) EPHX1NPC1RAB9AL3MBTL1PRMT3
SCHEMBL3420737 0.81 EPHX1 (0.59) EPHX1NPC1RAB9AL3MBTL1PRMT3
SCHEMBL7579999 0.76 GAA (0.45) EPHX1HPGDMEN1ABCB11ALDH1A1
SCHEMBL8396923 0.75 EPHX1 (0.53) EPHX1NPC1RAB9AL3MBTL1PRMT3
SCHEMBL28691672 0.75 EPHX1 (0.53) EPHX1NPC1RAB9AL3MBTL1SIGMAR1
SCHEMBL22635693 0.74 EPHX1 (0.59) EPHX1ALDH1A1
SCHEMBL2926383 0.74 EPHX1 (0.56) EPHX1NPC1RAB9AL3MBTL1PRMT3
SCHEMBL8392768 0.74 EPHX1 (0.52) EPHX1NPC1RAB9AL3MBTL1SIGMAR1
SCHEMBL15270205 0.74 EPHX1 (0.52) EPHX1NPC1RAB9AL3MBTL1SIGMAR1

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
US-11731956-B2 Substituted 1,2,4-triazoles as intermediates in the synthesis of TYK2 inhibitors ALUMIS INC. (US) 2023-08-22 US disclosed
US-20230021554-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2023-01-26 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 (2 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-20230021554-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 EPHX1 3175/4885NPC1 4835/4885RAB9A 3788/4885
US-11731956-B2 Substituted 1,2,4-triazoles as intermediates in the synthesis of TYK2 inhibitors TYK2, JAK1, JAK3 EPHX1 3690/4885NPC1 4787/4885RAB9A 3996/4885

“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.