SCHEMBL5847284

SCHEMBL5847284

BrCc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(CBr)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 14/20 0.42
ALDH1A1 P00352 2/20 0.38
TRPA1 O75762 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
OPRK1 P41145 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
S100A4 P26447 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL18079823 0.81 HTR1A (0.46) PDK2ALDH1A1TSHRMAPK1
SCHEMBL18079828 0.81 HTR1A (0.46) PDK2ALDH1A1TSHRMAPK1
SCHEMBL17903056 0.81 HTR1A (0.46) PDK2ALDH1A1TSHRMAPK1
SCHEMBL26999776 0.81 PDK2 (0.43) PDK2ALDH1A1TSHRKDM4EMAPK1
SCHEMBL23097228 0.81 PDK2 (0.38) PDK2S100A4MAPK1
SCHEMBL5487698 0.81 PDK2 (0.42) PDK2ALDH1A1TSHRLMNAMAPT
SCHEMBL5846726 0.81 PDK2 (0.63) PDK2TSHRLMNAMAPTSMN1; SMN2
SCHEMBL23655327 0.81 PDK2 (0.61) PDK2ALDH1A1TRPA1LMNAMAPT
SCHEMBL16995983 0.80 HTR7 (0.47) PDK2ALDH1A1TSHRKMT2A
SCHEMBL4258846 0.78 MEN1 (0.57) PDK2ALDH1A1TRPA1TSHRLMNA

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 16 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-1053578-A1 USE OF SPIRO COMPOUNDS AS LASER DYES Axiva GmbH (DE) 2000-11-22 EP 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-1999040655-A1 USE OF SPIRO COMPOUNDS AS LASER DYES AXIVA GMBH (DE) 1999-08-12 WO disclosed
US-5840217-A LIGHT-EMITTING, CHARGE-TRANSPORT, CHARGE-INJECTION MATERIALS HOECHST AKTIENGESELLSCHAFT (DE) 1998-11-24 US 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 478/4885ALDH1A1 54/4885TRPA1 230/4885

“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.