SCHEMBL16809335

SCHEMBL16809335

CCCCOc1ccc2oc3cc4c(cc3c2c1)oc1ccc(OCCCC)cc14

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA6 P23280 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
CA5B Q9Y2D0 2/20 0.51
CA3 P07451 1/20 0.51
CA4 P22748 1/20 0.51
LMNA P02545 2/20 0.49
XDH P47989 2/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 3/20 0.45
MTNR1A P48039 2/20 0.45
ACSL1 P33121 2/20 0.45
ACSL6 Q9UKU0 2/20 0.45
MAOA P21397 1/20 0.45

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
SCHEMBL16806223 0.92 ABCB1 (0.46) CA12CA1CA2CA6CA7
SCHEMBL16806176 0.92 LMNA (0.60) LMNAXDHALDH1A1MAPTACSL1
SCHEMBL346823 0.91 NR5A1 (0.51) CA12CA1CA2CA6CA7
SCHEMBL367004 0.91 NR5A1 (0.51) CA12CA1CA2CA6CA7
SCHEMBL16806201 0.85 XDH (0.61) CA12CA1CA2CA6CA7
SCHEMBL16249942 0.83 KDM4E (0.43) CA12CA1CA2CA6CA7
SCHEMBL16806148 0.83 MAPK1 (0.48) CA12CA1CA2CA6CA7
SCHEMBL1794868 0.82 XDH (0.54) XDHKDM4ESIGMAR1
SCHEMBL1792355 0.82 LMNA (0.53) CA12CA1CA2CA6CA7
SCHEMBL14294915 0.82 MTNR1A (0.47) CA12CA1CA2CA6CA7

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-9714253-B2 Organic thin film transistor, organic semiconductor thin film, and organic semiconductor material FUJIFILM CORPORATION (JP) 2017-07-25 US disclosed
US-20150166561-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC SEMICONDUCTOR MATERIAL FUJIFILM CORPORATION (JP) 2015-06-18 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-20150166561-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC SEMICONDUCTOR MATERIAL TRMT1L, APOL1, TLL1 CA12 3273/4885CA1 2009/4885CA2 1881/4885

“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.