SCHEMBL19168355

SCHEMBL19168355

c1ccc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.48
▸ MAPT P10636 7/20 0.48
▸ HPGD P15428 7/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ DHODH Q02127 1/20 0.46
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ RECQL P46063 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NOTUM Q6P988 1/20 0.42
▸ SQOR Q9Y6N5 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ POLB P06746 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ HSD17B10 Q99714 3/20 0.39

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
SCHEMBL19167469 0.95 ALDH1A1 (0.46) ALDH1A1MAPTHPGDKDM4EDHODH
SCHEMBL19166388 0.92 MAPT (0.46) ALDH1A1MAPTHPGDKDM4EDHODH
SCHEMBL19166383 0.92 MAPT (0.46) ALDH1A1MAPTHPGDKDM4EDHODH
SCHEMBL19168322 0.92 MAPT (0.49) ALDH1A1MAPTHPGDKDM4EDHODH
SCHEMBL19168338 0.92 MAPT (0.49) ALDH1A1MAPTHPGDKDM4EDHODH
SCHEMBL19167433 0.92 MAPT (0.49) ALDH1A1MAPTHPGDKDM4EDHODH
SCHEMBL19168429 0.92 MAPT (0.49) ALDH1A1MAPTHPGDKDM4EDHODH
SCHEMBL17969959 0.91 DHODH (0.52) ALDH1A1MAPTHPGDKDM4EDHODH
SCHEMBL17969957 0.91 DHODH (0.52) ALDH1A1MAPTHPGDKDM4EDHODH
SCHEMBL17692172 0.90 ALDH1A1 (0.46) ALDH1A1MAPTHPGDKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10797244-B2 Compound, material for organic electroluminescent element, organic electroluminescent element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2020-10-06 — — US disclosed
US-20170213982-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-07-27 — — US disclosed
US-20170213982-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-07-27 — — 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-10797244-B2 Compound, material for organic electroluminescent element, organic electroluminescent element, and electronic device RER1, RBM12, H1-2 ALDH1A1 1176/4885MAPT 3267/4885HPGD 3711/4885
US-20170213982-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE RER1, RBM12, H1-2 ALDH1A1 1176/4885MAPT 3267/4885HPGD 3711/4885

“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.

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