SCHEMBL4171328

SCHEMBL4171328

O=C(O)CNCCC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.49
KDM5A P29375 3/20 0.45
PHF8 Q9UPP1 3/20 0.45
KDM2A Q9Y2K7 3/20 0.45
KDM4C Q9H3R0 2/20 0.45
KDM4A O75164 1/20 0.45
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
EPHX2 P34913 3/20 0.39
CYP2D6 P10635 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL10389346 0.96 EPHX1 (0.46) EPHX1KDM5APHF8KDM2AKDM4C
SCHEMBL31688784 0.94 EPHX1 (0.42) EPHX1KDM5APHF8KDM2AKDM4C
SCHEMBL8388643 0.90 KDM5A (0.41) EPHX1KDM5APHF8KDM2AKDM4C
SCHEMBL6877330 0.86 KDM5A (0.47) EPHX1KDM5APHF8KDM2AKDM4C
SCHEMBL24602545 0.85 KDM5A (0.55) EPHX1KDM5APHF8KDM2AKDM4C
SCHEMBL24602547 0.85 KDM5A (0.55) EPHX1KDM5APHF8KDM2AKDM4C
SCHEMBL24556959 0.85 KDM5A (0.55) EPHX1KDM5APHF8KDM2AKDM4C
SCHEMBL24556984 0.85 KDM5A (0.55) EPHX1KDM5APHF8KDM2AKDM4C
Hydrochloric Acid SCHEMBL1677750 0.85 KDM5A (0.46) EPHX1KDM5APHF8KDM2AKDM4C
SCHEMBL8843144 0.82 EPHX1 (0.47) EPHX1HPGDKMT2ACYP2D6SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
US-20090215893-A1 Parakeratosis inhibitor, pore-shrinking agent,or rough skin preventing/ameliorating agent, and external composition for skin SHISEIDO COMPANY LTD (JP) 2009-08-27 US disclosed
EP-1884230-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-02-06 EP 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-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 EPHX1 3711/4885KDM5A 4807/4885PHF8 4823/4885
US-20090215893-A1 Parakeratosis inhibitor, pore-shrinking agent,or rough skin preventing/ameliorating agent, and external composition for skin CUTA, STOM, MTOR EPHX1 3957/4885KDM5A 2944/4885PHF8 1889/4885

“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.