SCHEMBL17853569

SCHEMBL17853569

c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4cccc5ccccc45)n3)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTR2C P28335 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PPP1CA P62136 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TSHR P16473 2/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ FLT3 P36888 2/20 0.39
▸ BMX P51813 1/20 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
SCHEMBL12579424 0.93 HTR2C (0.43) KDM4EMAPTHSD17B10MAPK1ALDH1A1
SCHEMBL17853590 0.90 MAPT (0.40) KDM4EMAPTHSD17B10MAPK1ALDH1A1
SCHEMBL24812017 0.89 KDM4E (0.45) KDM4EMAPTHSD17B10MAPK1ALDH1A1
SCHEMBL17853582 0.88 MAPT (0.42) KDM4EMAPTHSD17B10MAPK1ALDH1A1
SCHEMBL17853583 0.88 MAPT (0.39) KDM4EMAPTHSD17B10MAPK1ALDH1A1
SCHEMBL13100587 0.88 TUBB4A (0.43) KDM4EMAPTHSD17B10MAPK1ALDH1A1
SCHEMBL17943442 0.88 ENPP1 (0.43) KDM4EMAPTMAPK1ALDH1A1HPGD
SCHEMBL13100590 0.88 TUBB4A (0.43) KDM4EMAPTHSD17B10MAPK1ALDH1A1
SCHEMBL19397653 0.88 KDM4E (0.44) KDM4EMAPTHSD17B10MAPK1ALDH1A1
SCHEMBL17853599 0.87 NPC1 (0.44) KDM4EMAPTHSD17B10MAPK1ALDH1A1

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 KDM4E 2180/4885MAPT 2833/4885HSD17B10 4072/4885

“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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