SCHEMBL82006

SCHEMBL82006

[O]c1cccc2ccc3ccccc3c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
HSD17B10 Q99714 6/20 0.54
CYP1A2 P05177 6/20 0.54
HPGD P15428 4/20 0.54
THRB P10828 1/20 0.54
TSHR P16473 4/20 0.50
CYP2A6 P11509 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
HPRT1 P00492 1/20 0.46
CYP3A4 P08684 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP1B1 Q16678 2/20 0.46
CYP1A1 P04798 1/20 0.46
HIF1A Q16665 2/20 0.43
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
AHR P35869 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL14353989 0.93 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL28375990 0.89 CYP1A2 (0.60) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL14353793 0.88 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL14354161 0.85 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL14354162 0.85 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL14353799 0.85 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL14353676 0.85 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL14354309 0.82 HSD17B10 (0.62) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL16050548 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL3415 0.79 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP1A2HPGDTHRB

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 138 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105949432-B A kind of modified gangue-rigid polyurethane foam compound insulating material 南京理工大学 2018-08-17 CN claimed
US-20020034657-A1 Organic electroluminescence device NEC CORPORATION. 2002-03-21 US claimed
CN-116813979-A Nucleating agent, synthetic resin composition containing same, and molded article thereof 株式会社ADEKA 2023-09-29 CN disclosed
CN-112839988-B Nucleating agent, synthetic resin composition containing same, and molded article thereof 株式会社ADEKA 2023-06-06 CN disclosed
US-20220213121-A1 SUBSTITUTED 1,2,3,3a,4,5,7,9,13,13a-DECAHYDROPYRIDO[1',2':4,5]PYRAZINO[1,2-a]PYRROLO[1,2-c]PYRIMIDINES HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2022-07-07 US disclosed
EP-3187225-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2022-01-05 EP disclosed
US-20210395209-A1 NUCLEATING AGENT, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF ADEKA CORPORATION (JP) 2021-12-23 US disclosed
EP-3858909-A1 NUCLEATING AGENT, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF ADEKA CORPORATION (JP) 2021-08-04 EP disclosed
EP-3372281-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2021-07-07 EP disclosed
CN-112839988-A Nucleating agent, synthetic resin composition containing same, and molded article thereof 株式会社ADEKA 2021-05-25 CN disclosed
EP-3196201-B1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE-INHIBITING ACTIVITY SHIONOGI & CO (JP) 2021-04-28 EP disclosed
EP-1819692-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2007-08-22 EP disclosed
EP-1718629-A2 BENZOPYRAN COMPOUNDS USEFUL FOR THE TREATMENT OF ARRHYTMIA Nissan Chemical Industries, Ltd. (JP) 2006-11-08 EP disclosed
WO-2006116764-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-11-02 WO disclosed
WO-2006062240-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-15 WO disclosed
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2006-05-04 US disclosed
EP-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
WO-2005080368-A2 BENZOPYRAN COMPOUND USEFUL FOR THE TREATMENT OF ARRHYTMIA NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-01 WO disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 WO disclosed
US-20020034657-A1 Organic electroluminescence device NEC CORPORATION. 2002-03-21 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 (3 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-20220213121-A1 SUBSTITUTED 1,2,3,3a,4,5,7,9,13,13a-DECAHYDROPYRIDO[1',2':4,5]PYRAZINO[1,2-a]PYRROLO[1,2-c]PYRIMIDINES HAVING HIV INTEGRASE INHIBITORY ACTIVITY TYMP, TYMS, POLA1 ALDH1A1 418/4885HSD17B10 2403/4885CYP1A2 636/4885
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 ALDH1A1 3160/4885HSD17B10 838/4885CYP1A2 434/4885
US-20210395209-A1 NUCLEATING AGENT, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF NOC2L, RIF1, NAP1L1 ALDH1A1 2699/4885HSD17B10 3823/4885CYP1A2 3026/4885

“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.