SCHEMBL12278698

SCHEMBL12278698

c1cc2cc3c(ccc4c5cc6ccoc6cc5ccc34)cc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.47
▸ MAOA P21397 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PTPN1 P18031 2/20 0.41
▸ DYRK1A Q13627 3/20 0.37
▸ MAOB P27338 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ HTR1B P28222 5/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ FTO Q9C0B1 1/20 0.34
▸ PIM1 P11309 1/20 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
SCHEMBL12277757 0.91 CYP2A6 (0.52) CYP2A6MAOAHSD17B10KDM4ECYP3A4
SCHEMBL19683424 0.87 CYP2A6 (0.44) CYP2A6MAOAHSD17B10KDM4ECYP3A4
SCHEMBL12278533 0.84 CYP2A6 (0.44) CYP2A6MAOAHSD17B10KDM4ECYP3A4
SCHEMBL30808547 0.84 CYP2A6 (0.37) CYP2A6MAOAHSD17B10KDM4ECYP3A4
SCHEMBL12277889 0.84 CYP3A4 (0.44) CYP2A6MAOAHSD17B10KDM4ECYP3A4
SCHEMBL18740431 0.84 HSD17B10 (0.61) CYP2A6MAOAHSD17B10KDM4ECYP3A4
SCHEMBL12278544 0.83 ALDH1A1 (0.41) CYP2A6MAOAHSD17B10KDM4ECYP3A4
SCHEMBL19683269 0.83 MAOA (0.46) CYP2A6MAOAHSD17B10KDM4ECYP3A4
SCHEMBL2149910 0.83 CYP2A6 (0.54) CYP2A6MAOAHSD17B10KDM4ECYP3A4
SCHEMBL19683642 0.82 CYP2A6 (0.41) CYP2A6MAOAHSD17B10KDM4ECYP3A4

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-8785915-B2 Compound for organic thin film transistor and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-22 — — US disclosed
US-8785915-B2 Compound for organic thin film transistor and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-22 — — US disclosed
US-20110210319-A1 COMPOUND FOR ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM TRANSISTOR USING THE SAME COMPOUND FOR ORGANIC THIN FLIM TRANSISTOR AND ORGANIC THAN FLIM TRANSITOR USING THE SAME (JP) 2011-09-01 — — US disclosed
US-20110210319-A1 COMPOUND FOR ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM TRANSISTOR USING THE SAME COMPOUND FOR ORGANIC THIN FLIM TRANSISTOR AND ORGANIC THAN FLIM TRANSITOR USING THE SAME (JP) 2011-09-01 — — 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-20110210319-A1 COMPOUND FOR ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM TRANSISTOR USING THE SAME OR10J3, TCF4, CTCF CYP2A6 864/4885MAOA 276/4885HSD17B10 2846/4885

“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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