SCHEMBL9768532

SCHEMBL9768532

c1ccc2c(c1)c1ccccc1n2CCn1c2ccccc2c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.70
CYP2C19 P33261 1/20 0.70
FABP4 P15090 3/20 0.61
FABP5 Q01469 3/20 0.61
FABP3 P05413 1/20 0.61
KDM4E B2RXH2 2/20 0.59
CYP19A1 P11511 1/20 0.58
GPR3 P46089 1/20 0.57
BACE1 P56817 2/20 0.56
HDAC6 Q9UBN7 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAOA P21397 4/20 0.53
MAOB P27338 4/20 0.53
ACHE P22303 1/20 0.53
DAO P14920 1/20 0.53
HDAC1 Q13547 1/20 0.50

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
SCHEMBL4552166 0.89 FABP4 (0.64) CYP1A2CYP2C19FABP4FABP5FABP3
SCHEMBL4552481 0.89 FABP4 (0.68) CYP1A2CYP2C19FABP4FABP5FABP3
SCHEMBL22498229 0.89 CYP1A2 (0.64) CYP1A2CYP2C19FABP4FABP5FABP3
SCHEMBL10063551 0.87 MAOA (0.69) CYP1A2CYP2C19FABP4FABP5HDAC6
SCHEMBL6338101 0.87 MAOA (0.69) CYP1A2CYP2C19FABP4FABP5HDAC6
SCHEMBL5181736 0.87 MAOA (0.69) CYP1A2CYP2C19FABP4FABP5HDAC6
SCHEMBL5658338 0.87 MAOA (0.69) CYP1A2CYP2C19FABP4FABP5HDAC6
SCHEMBL332656 0.85 CYP1A2 (0.58) CYP1A2CYP2C19FABP4FABP5FABP3
SCHEMBL14464150 0.85 CYP1A2 (0.58) CYP1A2CYP2C19FABP4FABP5FABP3
SCHEMBL16387805 0.85 CYP1A2 (0.58) CYP1A2CYP2C19FABP4FABP5FABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5053302-A Photosensitivity, durability FUJI PHOTO FILM CO., LTD. (JP) 1991-10-01 US claimed
US-20230131832-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-04-27 US disclosed
US-9917273-B2 Cross-linking polymer and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-03-13 US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 US disclosed
US-20160190477-A1 ORGANIC ELECTROLUMINESCENCE COMPOSITION, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, SOLUTION OF MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-06-30 US disclosed
US-20140231771-A1 CROSS-LINKING POLYMER AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. 2014-08-21 US disclosed
US-5053302-A Photosensitivity, durability FUJI PHOTO FILM CO., LTD. (JP) 1991-10-01 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-20230131832-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME EML4, OCIAD1, OCIAD2 CYP1A2 764/4885CYP2C19 1033/4885FABP4 3669/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 CYP1A2 1714/4885CYP2C19 445/4885FABP4 2958/4885

“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.