SCHEMBL4348741

SCHEMBL4348741

O=C(NCC1CCCCC1)Nc1cc(Cl)cc(Cl)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.56
EPHX2 P34913 2/20 0.56
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
GRM4 Q14833 1/20 0.45
USP30 Q70CQ3 1/20 0.45
HSPA5 P11021 1/20 0.44
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
BCL2A1 Q16548 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL6672080 0.91 EPHX1 (0.48) EPHX1EPHX2RAB9ANPC1POLB
SCHEMBL4353768 0.84 SMN1; SMN2 (0.49) EPHX1EPHX2RAB9ANPC1MAPT
SCHEMBL4356013 0.83 EPHX1 (0.51) EPHX1EPHX2RAB9ANPC1POLB
SCHEMBL4345960 0.82 EPHX1 (0.64) EPHX1EPHX2RAB9ANPC1POLB
SCHEMBL4351271 0.82 EPHX1 (0.60) EPHX1EPHX2RAB9ANPC1POLB
SCHEMBL4345381 0.82 EPHX1 (0.63) EPHX1EPHX2RAB9ANPC1POLB
SCHEMBL4348759 0.81 EPHX1 (0.50) EPHX1EPHX2RAB9ANPC1POLB
SCHEMBL4354309 0.80 RAB9A (0.66) EPHX1EPHX2RAB9ANPC1POLB
SCHEMBL4348895 0.76 EPHX1 (0.50) EPHX1EPHX2RAB9ANPC1POLB
SCHEMBL6672086 0.76 EPHX1 (0.36) EPHX1EPHX2RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP claimed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US claimed
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN claimed
EP-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 EP claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 EPHX1 1676/4885EPHX2 769/4885RAB9A 4228/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 EPHX1 1334/4885EPHX2 627/4885RAB9A 4588/4885

“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.