SCHEMBL4401765

SCHEMBL4401765

Cc1ccc(C)c(-c2cccc(-c3cccc(-c4cc(C)ccc4C)n3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
ATM Q13315 1/20 0.45
HSD17B10 Q99714 3/20 0.44
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
AR P10275 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 1/20 0.41
TLR8 Q9NR97 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
MAPT P10636 4/20 0.40
S1PR4 O95977 2/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
RECQL P46063 1/20 0.38
CASP3 P42574 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
SCHEMBL17997027 0.89 MEN1 (0.40) KMT2AMEN1ATMHSD17B10CCR1
SCHEMBL4404668 0.89 MEN1 (0.53) KMT2AMEN1ATMHSD17B10MAPT
SCHEMBL24224628 0.88 CCR1 (0.56) KMT2AMEN1ATMHSD17B10CCR1
SCHEMBL13962549 0.88 CCR1 (0.52) KMT2AMEN1ATMHSD17B10CCR1
SCHEMBL4401772 0.88 KDM4E (0.58) KMT2AMEN1ATMHSD17B10CCR1
SCHEMBL4400289 0.85 MEN1 (0.39) KMT2AMEN1ATMHSD17B10CCR1
SCHEMBL10305012 0.82 HSP90AA1 (0.46) KMT2AMEN1ATMHSD17B10AR
SCHEMBL7039117 0.81 HSD17B10 (0.46) KMT2AMEN1ATMHSD17B10CCR1
SCHEMBL30646072 0.81 TERT (0.43) KMT2AMEN1ATMHSD17B10AR
SCHEMBL7232844 0.80 CYP19A1 (0.51) KMT2AMEN1ATMHSD17B10CYP1A2

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 KMT2A 1162/4885MEN1 1827/4885ATM 4296/4885
US-20090230846-A1 MONOAMINE COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE SLC7A5, SLC18A1, MAOA KMT2A 982/4885MEN1 2206/4885ATM 3333/4885

“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.