SCHEMBL13561981

SCHEMBL13561981

C=Cc1cc2ccc3c4cc5ccccc5cc4ccc3c2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 2/20 0.37
CYP1B1 Q16678 2/20 0.37
HIF1A Q16665 1/20 0.37
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP1A2 P05177 2/20 0.32
ERBB2 P04626 1/20 0.32
FYN P06241 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
AHR P35869 1/20 0.32
HPRT1 P00492 1/20 0.31
LMNA P02545 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL13561977 0.85 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EMAPTHTT
SCHEMBL13561842 0.81 PIM1 (0.38) ALDH1A1HPGDKDM4EMAPTHTT
SCHEMBL13561975 0.76 TLR8 (0.36) ALDH1A1HPGDKDM4EMAPTHTT
SCHEMBL13561959 0.76 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10CYP1B1
SCHEMBL13561957 0.76 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10CYP1B1
SCHEMBL13561956 0.76 CYP1B1 (0.41) ALDH1A1HPGDMAPTHTTHSD17B10
SCHEMBL13561955 0.76 CYP1B1 (0.41) ALDH1A1HPGDKDM4EMAPTHTT
SCHEMBL13561968 0.76 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10CYP1B1
SCHEMBL13563007 0.73 MAOA (0.53) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL13561986 0.73 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAPTSMN1; 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 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 ALDH1A1 2172/4885HPGD 3425/4885KDM4E 959/4885

“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.