SCHEMBL5848508

SCHEMBL5848508

O=Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(CO)cc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 13/20 0.50
CHEK1 O14757 1/20 0.38
STK17B O94768 1/20 0.35
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PTGS2 P35354 1/20 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
SCHEMBL16346749 0.86 ALDH1A1 (0.41) PDK2DRD2DRD1DRD4DRD5
SCHEMBL5846694 0.86 ALDH1A1 (0.41) PDK2DRD2DRD1DRD4DRD5
SCHEMBL5846726 0.86 PDK2 (0.63) PDK2CHEK1KDM4E
SCHEMBL16346844 0.86 ALDH1A1 (0.41) PDK2DRD2DRD1DRD4DRD5
SCHEMBL14427825 0.79 PDK2 (0.36) PDK2DRD1RAB9AALDH1A1KDM4E
SCHEMBL13355909 0.78 ALDH1A1 (0.39) PDK2DRD2DRD1DRD4DRD5
SCHEMBL13355908 0.78 ALDH1A1 (0.39) PDK2DRD2DRD1DRD4DRD5
SCHEMBL2392834 0.78 PDK2 (0.45) PDK2ALDH1A1KDM4E
SCHEMBL23598504 0.77 MEN1 (0.44) PDK2DRD1RAB9AALDH1A1KDM4E
SCHEMBL30089997 0.77 PDK2 (0.41) PDK2RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7088757-B1 Use of spiro compounds as laser dyes SEMICONDUCTORS GMBH (DE) 2006-08-08 US disclosed
US-6822094-B2 AMORPHOUS SPIROBIFLUORENE COMPOUND USED IN A PHOTOVOLTIC CELL AS CHARGE TRANSPORTING MATERIAL AVENTIS RESEARCH & TECHNOLOGIES, GMBH & CO. KG (DE) 2004-11-23 US disclosed
EP-0935691-B1 OPTICAL BRIGHTENING AGENT COVION ORGANIC SEMICONDUCTORS (DE) 2004-05-26 EP disclosed
US-20030111107-A1 Spiro compounds and their use MERCK OLED MATERIALS GMBH (DE) 2003-06-19 US disclosed
EP-0676461-B1 Spiro compounds and their application as electroluminescence materials COVION ORGANIC SEMICONDUCTORS (DE) 2002-08-14 EP disclosed
EP-1053578-B1 USE OF SPIRO COMPOUNDS AS LASER DYES COVION ORGANIC SEMICONDUCTORS (DE) 2002-05-08 EP disclosed
EP-0968175-B1 SPIRO COMPOUNDS AND THE USE THEREOF CELANESE VENTURES GMBH (DE) 2001-12-12 EP disclosed
US-6187224-B1 ORGANIC SPIRO COMPOUNDS WHICH COMPRISE A CONJUGATED SYSTEM AXIVA GMBH (DE) 2001-02-13 US disclosed
EP-0968175-A1 SPIRO COMPOUNDS AND THE USE THEREOF Aventis Research & Technologies GmbH & Co KG (DE) 2000-01-05 EP disclosed
EP-0935691-A1 OPTICAL BRIGHTENING AGENT Aventis Research & Technologies GmbH & Co. KG (DE) 1999-08-18 EP disclosed
WO-1998042655-A1 SPIRO COMPOUNDS AND THE USE THEREOF AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-10-01 WO disclosed
WO-1998018996-A1 OPTICAL BRIGHTENING AGENT AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-05-07 WO disclosed
EP-0676461-A2 Spiro compounds and their application as electroluminescence materials HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-11 EP 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-20030111107-A1 Spiro compounds and their use PKD1, PKD2, REN PDK2 478/4885CHEK1 2164/4885STK17B 2847/4885

“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.