SCHEMBL10127772

SCHEMBL10127772

Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2ccc(-c3nnc4c5ccccc5c5ccccc5n34)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
RXFP1 Q9HBX9 4/20 0.41
MAPT P10636 3/20 0.40
THRB P10828 1/20 0.40
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AVPR1A P37288 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
SCHEMBL10127852 1.00 POLB (0.46) POLBALDH1A1HPGDKDM4ERXFP1
SCHEMBL10127787 0.93 POLB (0.47) POLBALDH1A1HPGDKDM4ERXFP1
SCHEMBL10127755 0.93 POLB (0.50) POLBALDH1A1HPGDKDM4ERXFP1
SCHEMBL10127742 0.93 POLB (0.50) POLBALDH1A1HPGDKDM4ERXFP1
SCHEMBL10128426 0.93 POLB (0.50) POLBALDH1A1HPGDKDM4ERXFP1
SCHEMBL10127834 0.93 POLB (0.50) POLBALDH1A1HPGDKDM4ERXFP1
SCHEMBL10127739 0.93 POLB (0.50) POLBALDH1A1HPGDKDM4ERXFP1
SCHEMBL10127717 0.93 POLB (0.47) POLBALDH1A1HPGDKDM4ERXFP1
SCHEMBL10127815 0.93 POLB (0.50) POLBALDH1A1HPGDKDM4ERXFP1
SCHEMBL10127718 0.93 POLB (0.47) POLBALDH1A1HPGDKDM4ERXFP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
US-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
WO-2012017842-A1 TRIAZOLE DERIVATIVE, HETEROCYCLIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-09 WO disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 US disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 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-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device HTR3D, KCNQ4, KCNQ3 POLB 3317/4885ALDH1A1 1032/4885HPGD 1148/4885

“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.