SCHEMBL17853587

SCHEMBL17853587

c1cc2ccc3ccc(-c4nc(-c5ccc(-c6ccncc6)cc5)cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)c4ccc(c1)c2c34

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ DHODH Q02127 1/20 0.36
▸ CYP1A2 P05177 3/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPK10 P53779 9/20 0.34
▸ MAPK9 P45984 8/20 0.34
▸ ERBB2 P04626 1/20 0.33
▸ FYN P06241 1/20 0.33

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
SCHEMBL24810939 0.91 KDM4E (0.40) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL17853584 0.90 DHODH (0.40) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL17853592 0.89 DHODH (0.37) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL17853583 0.88 MAPT (0.39) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL17853571 0.88 MAPT (0.43) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL19168144 0.85 MAPT (0.50) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL19168187 0.85 MAPT (0.50) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL12611738 0.85 KDM4E (0.41) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL12611928 0.84 KDM4E (0.42) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL20276080 0.83 PIK3CA (0.40) MAPTKDM4EALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — US disclosed
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — 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-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, PIEZO1, SLC39A11 MAPT 2833/4885KDM4E 2180/4885ALDH1A1 408/4885

“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.

Send feedback