SCHEMBL16981609

SCHEMBL16981609

CCCCCCCCOc1ccc2c(c1)oc1c2ccc2c3cc4cc(F)c(F)cc4cc3oc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA6 P23280 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CA14 Q9ULX7 2/20 0.43
▸ CA5B Q9Y2D0 2/20 0.43
▸ CA3 P07451 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ MAOA P21397 4/20 0.42
▸ MAOB P27338 4/20 0.42
▸ ALDH2 P05091 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL16981581 0.89 CA12 (0.46) CA12CA1CA2CA6CA7
SCHEMBL16981613 0.82 MAOA (0.43) CA12CA1CA2CA6CA7
SCHEMBL347719 0.80 CA12 (0.54) CA12CA1CA2CA6CA7
SCHEMBL22145657 0.80 CA12 (0.44) CA12CA1CA2CA6CA7
SCHEMBL16981550 0.78 ALDH2 (0.40) CA12CA1CA2CA6CA7
SCHEMBL16981545 0.76 ALDH1A1 (0.47) CA12CA1CA2CA6CA7
SCHEMBL13562244 0.76 CA12 (0.48) CA12CA1CA2CA6CA7
SCHEMBL20402255 0.74 CA12 (0.40) CA12CA1CA2CA6CA7
SCHEMBL16807691 0.73 CA12 (0.41) CA12CA1CA2CA6CA7
SCHEMBL16981578 0.73 APP (0.42) MAOAMAOBHDAC1KDM4EMAPT

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-20150221876-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC SEMICONDUCTOR MATERIAL FUJIFILM CORPORATION (JP) 2015-08-06 — — 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-20150221876-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC SEMICONDUCTOR MATERIAL OR10J3, POF1B, SLC43A1 CA12 2785/4885CA1 2625/4885CA2 3183/4885

“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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