SCHEMBL10101414

SCHEMBL10101414

CC(C)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 2/20 0.63
KIF11 P52732 1/20 0.60
AR P10275 3/20 0.59
MAPT P10636 6/20 0.55
KDM4E B2RXH2 5/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 4/20 0.55
GAA P10253 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
MCL1 Q07820 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GRK6 P43250 1/20 0.54
CYBB P04839 1/20 0.53
POLB P06746 1/20 0.52
PKM P14618 1/20 0.52

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
SCHEMBL14581382 0.86 GRK6 (0.74) ARMAPTKDM4EMEN1KMT2A
SCHEMBL8298553 0.86 GRK6 (0.74) ARMAPTKDM4EMEN1KMT2A
SCHEMBL10022355 0.86 MAPT (0.52) USP7KIF11ARMAPTKDM4E
SCHEMBL23949937 0.82 MEN1 (0.73) ARMAPTKDM4EMEN1KMT2A
SCHEMBL10101416 0.81 AR (0.67) USP7KIF11ARMAPTKDM4E
SCHEMBL14511548 0.81 MAPT (0.79) USP7ARMAPTKDM4EMEN1
SCHEMBL12723007 0.81 MAPT (0.79) USP7ARMAPTKDM4EMEN1
SCHEMBL14582287 0.80 KMT2A (0.80) USP7ARMAPTKDM4EMEN1
SCHEMBL10101290 0.79 MAPT (0.79) USP7KIF11ARMAPTKDM4E
SCHEMBL681674 0.79 MAPT (0.81) USP7ARMAPTKDM4EMEN1

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-8110583-B2 treatment of tumors; 1,5-bis(4'-(N-hydroxyamidino)phenoxy)pentane; maintain cells in the G2/M cell cycle MERCK PATENT GMBH (DE) 2012-02-07 US disclosed
US-8110583-B2 treatment of tumors; 1,5-bis(4'-(N-hydroxyamidino)phenoxy)pentane; maintain cells in the G2/M cell cycle MERCK PATENT GMBH (DE) 2012-02-07 US disclosed
US-20080221118-A1 treatment of tumors; 1,5-bis(4'-(N-hydroxyamidino)phenoxy)pentane; maintain cells in the G2/M cell cycle MERCK PATENT GMBH (DE) 2008-09-11 US disclosed
US-20080221118-A1 treatment of tumors; 1,5-bis(4'-(N-hydroxyamidino)phenoxy)pentane; maintain cells in the G2/M cell cycle MERCK PATENT GMBH (DE) 2008-09-11 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-20080221118-A1 treatment of tumors; 1,5-bis(4'-(N-hydroxyamidino)phenoxy)pentane; maintain cells in the G2/M cell cycle CCNE1, CCNA1, CCNT1 USP7 1663/4885KIF11 1758/4885AR 2448/4885

“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.