SCHEMBL14901006

SCHEMBL14901006

Cc1cc(Br)c(OC2CCCCO2)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PDE4B Q07343 2/20 0.35
HSD11B1 P28845 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
DHFR P00374 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL12831493 0.91 PTPN1 (0.39) PTPN1MEN1KMT2APDE4BHSD11B1
SCHEMBL19729142 0.87 PDE4B (0.33) PTPN1MEN1KMT2APDE4BHSD11B1
SCHEMBL14143210 0.82 PTPN1 (0.36) PTPN1PDE4BHSD11B1DHFRKDM4C
SCHEMBL1423552 0.81 PTPN1 (0.39) PTPN1PDE4BNPC1RAB9AHPGD
SCHEMBL23907105 0.80 PDE4B (0.39) PTPN1MEN1KMT2APDE4BHSD11B1
SCHEMBL3451372 0.78 HSD11B1 (0.43) MEN1KMT2APDE4BHSD11B1NPC1
SCHEMBL16628341 0.77 HPGD (0.38) PTPN1PDE4BHSD11B1NPC1RAB9A
SCHEMBL16518358 0.77 MAPK1 (0.43) PTPN1MEN1KMT2APDE4BNPC1
SCHEMBL7802721 0.77 PTPN1 (0.37) PTPN1PDE4BHSD11B1HPGDHTT
SCHEMBL7242085 0.77 NPC1 (0.46) PTPN1PDE4BHSD11B1NPC1RAB9A

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-20170069850-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-09 US disclosed
US-9112157-B2 Hole transport materials including OLED applications SOLVAY USA, INC. (US) 2015-08-18 US disclosed
US-20130105769-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-05-02 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-20130105769-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, CCNE2 PTPN1 4586/4885MEN1 561/4885KMT2A 2094/4885

“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.