SCHEMBL3424030

SCHEMBL3424030

c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2[nH]c4ccccc4c32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.48
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
CDK4 P11802 5/20 0.38
CCND1 P24385 5/20 0.38
IMPDH2 P12268 1/20 0.38

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
SCHEMBL29520364 1.00 PARP1 (0.48) PARP1GABRPGABRDGABRA1GABRB1
SCHEMBL20327485 0.92 CDK4 (0.45) PARP1GABRPGABRDGABRA1GABRB1
SCHEMBL17807934 0.90 PARP1 (0.51) PARP1GABRPGABRDGABRA1GABRB1
SCHEMBL29819506 0.90 PARP1 (0.51) PARP1GABRPGABRDGABRA1GABRB1
SCHEMBL20327492 0.89 CDK4 (0.45) PARP1GABRPGABRDGABRA1GABRB1
SCHEMBL20199521 0.88 PARP1 (0.50) PARP1GABRPGABRDGABRA1GABRB1
SCHEMBL20327410 0.87 PARP1 (0.40) PARP1GABRPGABRDGABRA1GABRB1
SCHEMBL18688087 0.84 CDK4 (0.46) PARP1GABRPGABRDGABRA1GABRB1
SCHEMBL18858214 0.83 PARP1 (0.46) PARP1GABRPGABRDGABRA1GABRB1
SCHEMBL22423132 0.82 PARP1 (0.45) PARP1GABRPGABRDGABRA1GABRB1

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-20120091445-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-04-19 US disclosed
US-20120091445-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-04-19 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-20120091445-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE OR51E2, AOX1, OR10J3 PARP1 4603/4885GABRP 2376/4885GABRD 1505/4885

“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.