SCHEMBL23668299

SCHEMBL23668299

c1ccc2cc(-c3cccc4[nH]c5ccccc5c34)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 5/20 0.47
▸ CCND1 P24385 5/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ HTR5A P47898 1/20 0.47
▸ IMPDH2 P12268 1/20 0.46
▸ IMPDH1 P20839 1/20 0.46
▸ PDE9A O76083 1/20 0.45
▸ GSTP1 P09211 1/20 0.44
▸ TLR4 O00206 1/20 0.42
▸ HDAC4 P56524 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ 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

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
SCHEMBL30721419 1.00 CDK4 (0.47) CDK4CCND1HTR2BHTR5AIMPDH2
SCHEMBL26203520 0.86 BCHE (0.45) CDK4CCND1GSTP1GABRPGABRD
SCHEMBL26729883 0.84 IMPDH2 (0.53) CDK4CCND1IMPDH2IMPDH1GABRP
SCHEMBL17277906 0.83 IMPDH2 (0.49) CDK4CCND1IMPDH2IMPDH1GABRP
SCHEMBL18429996 0.83 AHR (0.52) CDK4CCND1IMPDH2IMPDH1GABRP
SCHEMBL29742929 0.83 AHR (0.52) CDK4CCND1IMPDH2IMPDH1GABRP
SCHEMBL18429999 0.83 AHR (0.52) CDK4CCND1IMPDH2IMPDH1GABRP
SCHEMBL30441967 0.83 AHR (0.52) CDK4CCND1IMPDH2IMPDH1GABRP
SCHEMBL1669833 0.83 IMPDH2 (0.55) CDK4CCND1IMPDH2IMPDH1TLR4
SCHEMBL28472293 0.82 CDK4 (0.53) CDK4CCND1HTR2BHTR5AGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037337-B2 Compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2024-07-16 — — US disclosed
US-12037337-B2 Compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2024-07-16 — — US disclosed
CN-112839939-B Novel compound and organic light emitting device comprising the same 株式会社LG化学 2024-01-19 — — CN disclosed
US-20210399232-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2021-12-23 — — US disclosed
US-20210399232-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2021-12-23 — — US disclosed
EP-3854792-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME LG Chem, Ltd. (KR) 2021-07-28 — — EP disclosed
EP-3854792-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME LG Chem, Ltd. (KR) 2021-07-28 — — EP disclosed
CN-112839939-A Novel compound and organic light emitting device comprising the same 株式会社LG化学 2021-05-25 — — CN 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-20210399232-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CRY2, C1S CDK4 157/4885CCND1 61/4885HTR2B 592/4885
US-12037337-B2 Compound and organic light emitting device comprising the same CRY1, CRY2, C1S CDK4 232/4885CCND1 91/4885HTR2B 567/4885

“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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