SCHEMBL17853583

SCHEMBL17853583

c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc5ccc6cccc7ccc4c5c67)n3)cc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PPP1CA P62136 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ KLF5 Q13887 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 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
SCHEMBL24810939 0.90 KDM4E (0.40) MAPTCYP1A2KMT2AMAPK1DHODH
SCHEMBL17853590 0.89 MAPT (0.40) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL17853587 0.88 MAPT (0.40) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL15446933 0.88 MCL1 (0.38) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL17853569 0.88 KDM4E (0.47) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL12611651 0.88 MAPT (0.39) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL10051345 0.86 TP53 (0.43) MAPTNPSR1CYP1A2HSD17B10TSHR
SCHEMBL19167006 0.85 HSD17B10 (0.46) MAPTNPSR1KMT2AHSD17B10TSHR
SCHEMBL12613636 0.85 MCL1 (0.37) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL17853584 0.85 DHODH (0.40) MAPTCYP1A2KMT2ADHODHKDM4E

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 1 patent. 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

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 MAPT 2833/4885NPSR1 3314/4885CYP1A2 1276/4885

“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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