SCHEMBL2553587

SCHEMBL2553587

O=c1cc[nH]c2c1CCC=C2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.33
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL2553459 0.98 KMT2A (0.35) CCR8KMT2A
Bromide SCHEMBL15092647 0.98 CCR8 (0.32) CCR8KMT2A
Hydrochloric Acid SCHEMBL15092651 0.98 KMT2A (0.35) CCR8KMT2A
Trifluoroacetic Acid SCHEMBL3398634 0.86
SCHEMBL3829382 0.69 CCR8 (0.38) CCR8KMT2AALDH1A1
SCHEMBL8856065 0.65
SCHEMBL16181722 0.64
SCHEMBL13542070 0.64
SCHEMBL31748655 0.63 CCR8 (0.31) CCR8KMT2A
SCHEMBL11668166 0.61 MEN1 (0.31) KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668164-A1 NOVEL AZACOUMARIN DERIVATIVES HAVING MDR PUMP INHIBITING ACTIVITY Université Claude Bernard Lyon I (FR) 2013-12-04 EP claimed
EP-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP claimed
WO-2012101388-A1 NOVEL AZACOUMARIN DERIVATIVES HAVING MDR PUMP INHIBITING ACTIVITY UNIVERSITE CLAUDE BERNARD LYON I (FR) 2012-08-02 WO claimed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO claimed
EP-3911680-A1 LILRB3-BINDING MOLECULES AND USES THEREFOR University Health Network (CA) 2021-11-24 EP disclosed
WO-2020146946-A1 LILRB3-BINDING MOLECULES AND USES THEREFOR UNIVERSITY HEALTH NETWORK (CA) 2020-07-23 WO disclosed
EP-3302060-A1 PYRAZOLO[4,3-C]QUINOLINE DERIVATIVES FOR INHIBITION OF -GLUCURONIDASE Kaohsiung Medical University (TW) 2018-04-11 EP disclosed
CN-107708419-A Pyrazolo [4,3-c ] quinoline derivatives having inhibitory activity on bacterial glucuronidase 高雄医学大学 2018-02-16 CN disclosed
WO-2016191576-A1 PYRAZOLO[4,3-C]QUINOLINE DERIVATIVES FOR INHIBITION OF β-GLUCURONIDASE DCB-USA LLC (US) 2016-12-01 WO disclosed
US-8962648-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-02-24 US disclosed
EP-2668164-A1 NOVEL AZACOUMARIN DERIVATIVES HAVING MDR PUMP INHIBITING ACTIVITY Université Claude Bernard Lyon I (FR) 2013-12-04 EP disclosed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 US disclosed
EP-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP disclosed
WO-2012101388-A1 NOVEL AZACOUMARIN DERIVATIVES HAVING MDR PUMP INHIBITING ACTIVITY UNIVERSITE CLAUDE BERNARD LYON I (FR) 2012-08-02 WO disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO disclosed
EP-2247588-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-11-10 EP disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
WO-2009107850-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-03 WO 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-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME PBDC1, SBK1, PLK2 CCR8 4149/4885KMT2A 1532/4885ALDH1A1 4033/4885

“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.