SCHEMBL17853655

SCHEMBL17853655

c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3ccc(-n4c5ccccc5c5c6cccc7c6c(cc54)-c4ccccc4-7)cc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.41
▸ CYP19A1 P11511 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ GLA P06280 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ CYP11B1 P15538 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ USP1 O94782 4/20 0.33
▸ WDR48 Q8TAF3 4/20 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
SCHEMBL17853658 0.91 DHODH (0.38) DHODHCYP19A1ALDH1A1MEN1KMT2A
SCHEMBL17853657 0.88 DHODH (0.40) DHODHCYP19A1ALDH1A1MEN1KMT2A
SCHEMBL17853593 0.86 DHODH (0.41) DHODHCYP19A1ALDH1A1CYP11B1MAPT
SCHEMBL22927347 0.86 TNF (0.34) ALDH1A1MEN1KMT2AGLACYP1A2
SCHEMBL17853528 0.86 DHODH (0.43) DHODHCYP19A1ALDH1A1MEN1KMT2A
SCHEMBL17853656 0.86 DHODH (0.40) DHODHCYP19A1ALDH1A1MEN1KMT2A
SCHEMBL17853668 0.86 DHODH (0.40) DHODHCYP19A1ALDH1A1MEN1KMT2A
SCHEMBL22927313 0.85 L3MBTL1 (0.38) ALDH1A1MEN1KMT2AGLATSHR
SCHEMBL17853546 0.85 DHODH (0.50) DHODHCYP19A1ALDH1A1MEN1KMT2A
SCHEMBL17853693 0.85 DHODH (0.50) DHODHCYP19A1ALDH1A1MEN1KMT2A

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 482/4885ALDH1A1 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.

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