SCHEMBL13562187

SCHEMBL13562187

COc1ccc2c(ccc3c2ccc2oc4ccccc4c23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ HNF4A P41235 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ LMNA P02545 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HPGD P15428 2/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ CYP2A6 P11509 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ MAOB P27338 2/20 0.46
▸ MAT2A P31153 1/20 0.44
▸ ABCG2 Q9UNQ0 2/20 0.44

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
SCHEMBL20349938 0.83 MAOA (0.69) MAOANPC1RAB9AHNF4AKDM4E
SCHEMBL31026601 0.81 CYP2A6 (0.56) MAOANPC1RAB9AHNF4AKDM4E
SCHEMBL13562183 0.80 XDH (0.46) LMNAMAOB
SCHEMBL13562162 0.80 MAOB (0.42) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL31376230 0.79 TDP1 (0.58) MAOANPC1RAB9AHNF4AKDM4E
SCHEMBL12473666 0.79 CYP1A2 (0.69) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL12277720 0.79 CYP1A2 (0.69) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL24627916 0.78 MAOA (0.57) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL31260258 0.77 MAOA (0.81) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL7107987 0.77 MAOA (0.81) MAOANPC1RAB9AKDM4EALDH1A1

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-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-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
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 MAOA 164/4885NPC1 1135/4885RAB9A 991/4885

“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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