SCHEMBL17853579

SCHEMBL17853579

c1ccc(-c2c3ccccc3c(-c3nc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)c3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.43
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAPT P10636 6/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ PPP1CA P62136 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPY5R Q15761 1/20 0.37
▸ METAP1 P53582 1/20 0.36
▸ PTK2B Q14289 1/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36

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
SCHEMBL24812018 0.91 KDM4E (0.47) DHODHMAPK1MAPTKMT2ANPSR1
SCHEMBL17853487 0.90 DHODH (0.46) DHODHTSHRHSD17B10MAPK1MAPT
SCHEMBL12579405 0.90 DHODH (0.46) DHODHTSHRHSD17B10MAPK1MAPT
SCHEMBL17853572 0.89 DHODH (0.41) DHODHTSHRHSD17B10MAPK1MAPT
SCHEMBL17853502 0.89 DHODH (0.45) DHODHTSHRHSD17B10MAPK1MAPT
SCHEMBL17853560 0.89 DHODH (0.45) DHODHTSHRHSD17B10MAPK1MAPT
SCHEMBL17853563 0.89 DHODH (0.45) DHODHTSHRHSD17B10MAPK1MAPT
SCHEMBL17853545 0.89 DHODH (0.45) DHODHTSHRHSD17B10MAPK1MAPT
SCHEMBL12614093 0.89 KDM4E (0.46) DHODHMAPTKMT2ANPSR1PPP1CA
SCHEMBL15381903 0.88 TSHR (0.46) DHODHTSHRHSD17B10MAPK1MAPT

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 DHODH 3921/4885TSHR 4068/4885HSD17B10 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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