SCHEMBL17853520

SCHEMBL17853520

c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.46
▸ CYP19A1 P11511 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP17A1 P05093 2/20 0.41
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ MAPT P10636 2/20 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
SCHEMBL19397371 1.00 DHODH (0.46) DHODHCYP19A1KDM4EATML3MBTL1
SCHEMBL19397588 0.97 DHODH (0.44) DHODHCYP19A1KDM4EATML3MBTL1
SCHEMBL22113764 0.97 DHODH (0.44) DHODHCYP19A1KDM4EATML3MBTL1
SCHEMBL19397486 0.97 DHODH (0.44) DHODHCYP19A1KDM4EATML3MBTL1
SCHEMBL19397309 0.97 CYP19A1 (0.45) DHODHCYP19A1KDM4EATML3MBTL1
SCHEMBL24752199 0.94 DHODH (0.42) DHODHCYP19A1KDM4EATML3MBTL1
SCHEMBL19397425 0.93 DHODH (0.42) DHODHCYP19A1KDM4EATML3MBTL1
SCHEMBL21945897 0.93 DHODH (0.42) DHODHCYP19A1KDM4EATML3MBTL1
SCHEMBL19397533 0.93 CYP19A1 (0.45) DHODHCYP19A1KDM4EATML3MBTL1
SCHEMBL17853527 0.93 DHODH (0.46) DHODHCYP19A1KDM4EATML3MBTL1

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 3921/4885CYP19A1 482/4885KDM4E 2180/4885

“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