SCHEMBL4401757

SCHEMBL4401757

Cc1ccc(C)c(-c2ccc(-c3ccc(-c4cc(C)ccc4C)cn3)nc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.50
CCR5 P51681 1/20 0.50
CCR8 P51685 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ESRRA P11474 1/20 0.49
ABL1 P00519 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
IDO1 P14902 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
METAP2 P50579 1/20 0.38
S1PR4 O95977 1/20 0.38

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
SCHEMBL4402808 0.90 DHODH (0.43) CCR1CCR5CCR8HDAC6ESRRA
SCHEMBL4402811 0.89 TGFBR1 (0.44) CCR1CCR5CCR8HDAC6ESRRA
SCHEMBL4402496 0.87 DHODH (0.42) CCR1CCR5CCR8HDAC6ESRRA
SCHEMBL4401770 0.84 CYP11B1 (0.46) CCR1CCR5CCR8HDAC6ESRRA
SCHEMBL4402825 0.83 CCR1 (0.48) CCR1CCR5CCR8HDAC6SMN1; SMN2
Hydrochloric Acid SCHEMBL7235383 0.81 IDO1 (0.51) CCR1CCR5CCR8HDAC6SMN1; SMN2
SCHEMBL24066438 0.80 CCR1 (0.60) CCR1CCR5CCR8HDAC6ESRRA
Hydrochloric Acid SCHEMBL7232404 0.79 NPC1 (0.51) CCR1CCR5CCR8HDAC6SMN1; SMN2
Hydrochloric Acid SCHEMBL7242234 0.79 CCR1 (0.44) CCR1CCR5CCR8HDAC6ESRRA
Hydrochloric Acid SCHEMBL7242130 0.78 IDO1 (0.47) CCR1CCR5CCR8HDAC6SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9640769-B2 Organic electric field light emitting element and production therefor MITSUBISHI CHEMICAL CORPORATION (JP) 2017-05-02 US disclosed
US-20160233445-A1 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 2016-08-11 US disclosed
US-9365767-B2 Organic electric field light emitting element and production therefor MITSUBISHI CHEMICAL CORPORATION (JP) 2016-06-14 US disclosed
US-8877355-B2 Monoamine compound, charge-transporting material, and organic electroluminescent device MITSUBISHI CHEMICAL CORPORATION (JP) 2014-11-04 US disclosed
US-20130214263-A1 MONOAMINE COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2013-08-22 US disclosed
US-8427046-B2 Monoamine compound, charge-transporting material, and organic electroluminescent device MITSUBISHI CHEMICAL CORPORATION (JP) 2013-04-23 US disclosed
US-8168307-B2 Organic compound, charge transport material and organic electroluminescent device PIONEER CORPORATION (JP) 2012-05-01 US disclosed
US-20110215312-A1 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 2011-09-08 US disclosed
US-20090230846-A1 MONOAMINE COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2009-09-17 US disclosed
US-20090066223-A1 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 2009-03-12 US disclosed
US-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE PIONEER CORPORATION (JP) 2009-01-22 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 (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-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC25A21, SLCO2A1, OCIAD2 CCR1 569/4885CCR5 2793/4885CCR8 2694/4885
US-20090230846-A1 MONOAMINE COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE SLC7A5, SLC18A1, MAOA CCR1 2502/4885CCR5 1586/4885CCR8 4216/4885

“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.