SCHEMBL13562256

SCHEMBL13562256

Cn1c2ccccc2c2ccc3c4ccc(-c5ccccc5)cc4ccc3c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.47
▸ RXRB P28702 1/20 0.47
▸ ALKBH5 Q6P6C2 1/20 0.46
▸ FTO Q9C0B1 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ GPR3 P46089 1/20 0.44
▸ LIMK1 P53667 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSP90AA1 P07900 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ CYP2B6 P20813 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL13563047 0.88 MAOB (0.52) RXRARXRBALKBH5FTOMAOB
SCHEMBL12249816 0.87 ALKBH5 (0.49) RXRARXRBALKBH5FTOMAOB
SCHEMBL12249820 0.87 ALKBH5 (0.49) RXRARXRBALKBH5FTOMAOB
SCHEMBL17521828 0.84 MAOB (0.51) RXRARXRBMAOBLIMK1ESR1
SCHEMBL12249819 0.84 ALKBH5 (0.49) RXRARXRBALKBH5FTOGPR3
SCHEMBL13562241 0.83 ALKBH5 (0.54) ALKBH5FTOGPR3HSD17B10HPGD
SCHEMBL18416284 0.82 ALKBH5 (0.56) ALKBH5FTOGPR3LIMK1HSD17B10
SCHEMBL13564064 0.82 MAOB (0.62) RXRARXRBALKBH5FTOMAOB
SCHEMBL23348108 0.82 MAOB (0.46) RXRARXRBALKBH5FTOMAOB
SCHEMBL13562245 0.80 ALKBH5 (0.51) ALKBH5FTOGPR3HSD17B10HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8766243-B2 Heterocycle-containing asymmetric aromatic compound, compound for organic thin film transistor, and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-01 — — US disclosed
US-8766243-B2 Heterocycle-containing asymmetric aromatic compound, compound for organic thin film transistor, and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-01 — — US disclosed
US-20120273768-A1 HETEROCYCLE-CONTAINING ASYMMETRIC AROMATIC COMPOUND, COMPOUND FOR ORGANIC THIN FILM TRANSISTOR, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-11-01 — — US disclosed
US-20120273768-A1 HETEROCYCLE-CONTAINING ASYMMETRIC AROMATIC COMPOUND, COMPOUND FOR ORGANIC THIN FILM TRANSISTOR, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-11-01 — — 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-20120273768-A1 HETEROCYCLE-CONTAINING ASYMMETRIC AROMATIC COMPOUND, COMPOUND FOR ORGANIC THIN FILM TRANSISTOR, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME TCF4, TPR, H1-4 RXRA 1312/4885RXRB 1771/4885ALKBH5 430/4885

“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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