SCHEMBL4886731

SCHEMBL4886731

[c]1cccc2[nH]c3ccc4cc5ccccc5cc4c3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.41
CCND1 P24385 5/20 0.41
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 3/20 0.32

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
SCHEMBL12219447 0.80 CDK4 (0.49) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL12219436 0.80 CDK4 (0.49) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL2470534 0.80 CDK4 (0.47) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL15902814 0.79 AHR (0.39) ALDH1A1HSD17B10KDM4EMEN1MAPT
SCHEMBL31484361 0.77 CDK4 (0.65) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL12776872 0.77 CDK4 (0.65) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL12219439 0.77 CYP1A2 (0.47) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL12219466 0.75 CDK4 (0.49) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL12240742 0.75 CYP1A2 (0.46) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL12219432 0.75 CDK4 (0.53) CDK4CCND1GABRPGABRDGABRA1

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-20220123231-A1 Organic Compound, Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, Display Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2022-04-21 US claimed
US-20220123231-A1 Organic Compound, Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, Display Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2022-04-21 US disclosed
US-20220123231-A1 Organic Compound, Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, Display Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2022-04-21 US disclosed
US-20080124455-A1 ORGANIC LIGHT EMITTING COMPOUND, ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-05-29 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 (2 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-20080124455-A1 ORGANIC LIGHT EMITTING COMPOUND, ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT EMITTING DEVICE CYBA, CRY2, CRY1 CDK4 971/4885CCND1 103/4885GABRP 4521/4885
US-20220123231-A1 Organic Compound, Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, Display Device, and Lighting Device SUN2, CRY2, NBAS CDK4 441/4885CCND1 984/4885GABRP 2079/4885

“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.