SCHEMBL13562173

SCHEMBL13562173

Brc1ccc2c(ccc3c4c(ccc32)Cc2ccccc2-4)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2A6 P11509 1/20 0.39
TRPA1 O75762 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CHEK2 O96017 1/20 0.35
ROS1 P08922 1/20 0.35
MARK3 P27448 1/20 0.35
LTK P29376 1/20 0.35

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
SCHEMBL18553369 0.94 TDP1 (0.41) TDP1L3MBTL1CYP2A6TRPA1KDM4E
SCHEMBL1983880 0.82 TDP1 (0.51) TDP1L3MBTL1CYP2A6TRPA1KDM4E
SCHEMBL4847777 0.82 HPRT1 (0.50) TDP1CYP2A6KDM4EMAPTNPC1
SCHEMBL13562177 0.82 NPC1 (0.37) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13562186 0.82 ACHE (0.43) L3MBTL1CYP2A6KDM4EMAPTNPC1
SCHEMBL13562191 0.82 ACHE (0.44) L3MBTL1CYP2A6KDM4EMAPTNPC1
SCHEMBL16139616 0.81 TDP1 (0.53) TDP1L3MBTL1CYP2A6KDM4EMAPT
SCHEMBL4848751 0.80 MAOA (0.50) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4845207 0.76 NPC1 (0.46) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4852509 0.76 ALDH1A1 (0.42) KDM4EMAPTNPC1RAB9ASMN1; SMN2

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-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

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 TDP1 2721/4885L3MBTL1 2994/4885CYP2A6 933/4885

“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.