SCHEMBL5846726

SCHEMBL5846726

OCc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(CO)cc21

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 13/20 0.63
CHEK1 O14757 1/20 0.42
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TTR P02766 1/20 0.36

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
SCHEMBL5848508 0.86 PDK2 (0.50) PDK2CHEK1KDM4E
SCHEMBL14427947 0.85 PDK2 (0.49) PDK2CHEK1TSHRKDM4EMEN1
SCHEMBL5847284 0.81 PDK2 (0.42) PDK2ESR1ESR2TSHRKDM4E
SCHEMBL5487698 0.81 PDK2 (0.42) PDK2ESR1ESR2TSHRKDM4E
SCHEMBL23655327 0.81 PDK2 (0.61) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL18947677 0.80 PDK2 (0.59) PDK2ESR1ESR2
SCHEMBL26250545 0.79 PDK2 (0.45) PDK2
SCHEMBL14353392 0.78 MEN1 (0.57) PDK2ESR1ESR2TSHRKDM4E
SCHEMBL30089997 0.78 PDK2 (0.41) PDK2ESR1ESR2TSHRKDM4E
SCHEMBL1495219 0.78 PDK2 (0.47) PDK2CHEK1ESR1ESR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295372-A1 Resin and Method for Producing Same LG CHEM, LTD. (KR) 2023-09-21 US disclosed
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 478/4885CHEK1 2164/4885ESR1 855/4885

“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.