SCHEMBL13562170

SCHEMBL13562170

Cc1ccc2c(c1)oc1ccc3c4ccccc4ccc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.45
MAOA P21397 3/20 0.43
MAOB P27338 2/20 0.43
TDP1 Q9NUW8 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CYP2A6 P11509 3/20 0.41
CYP1A2 P05177 2/20 0.41
HNF4A P41235 2/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
ERBB2 P04626 1/20 0.40
FYN P06241 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL10109875 0.93 L3MBTL1 (0.47) MAOAMAOBTDP1L3MBTL1CYP2A6
SCHEMBL13562162 0.87 MAOB (0.42) MAOAMAOBTDP1L3MBTL1CYP2A6
SCHEMBL13562105 0.84 CYP2A6 (0.46) MAOAMAOBTDP1L3MBTL1CYP2A6
SCHEMBL31376230 0.83 TDP1 (0.58) HPRT1MAOATDP1L3MBTL1CYP2A6
SCHEMBL13562231 0.82 KMT2A (0.47) HPRT1MAOAMAOBTDP1L3MBTL1
SCHEMBL9779121 0.81 CYP1A2 (0.48) MAOAMAOBTDP1L3MBTL1CYP2A6
SCHEMBL13562167 0.80 CYP1A2 (0.46) HPRT1MAOAMAOBTDP1L3MBTL1
SCHEMBL24029539 0.80 TDP1 (0.47) MAOAMAOBTDP1L3MBTL1CYP2A6
SCHEMBL13085341 0.80 ALDH1A1 (0.55) HPRT1MAOATDP1L3MBTL1CYP2A6
SCHEMBL12433585 0.80 MAOA (0.41) MAOAMAOBTDP1CYP2A6CYP1A2

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 HPRT1 102/4885MAOA 164/4885MAOB 367/4885

“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.